Molecule FYI-1009777

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A

Molecule Summary:

ID: FYI-1009777
Names:
InChIKey: CRWDWNVDOMONAJ-UHFFFAOYSA-N
SMILES: CCCC2(CCNC(C)=O)CNC1=CCC(O)C=C12

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009777 Edit

Molecule Structure InChIKey: CRWDWNVDOMONAJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC2(CCNC(C)=O)CNC1=CCC(O)C=C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009777
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.5104    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900    4.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374    4.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8114    3.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    7.6046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    9.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    9.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    9.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009777-3D
FYIcenter.com

 43 44  0  0  1  0  0  0  0  0999 V2000
    0.6825   -1.6313   -1.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2015   -1.6696   -1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -1.4626   -0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4160   -1.4808   -0.0838 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9854   -1.2906    1.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6202    0.0283    2.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2014    0.1484    3.3628 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057   -0.1862    4.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2054    0.1530    5.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3976   -0.7174    4.4778 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418   -2.8535   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6866   -2.4896   -1.8353 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7487   -1.1566   -2.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3532   -0.5173   -3.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    0.9856   -3.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168    1.7355   -2.1287 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4265    2.4081   -2.7627 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8978    0.8826   -1.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168   -0.4564   -1.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2497   -1.7859   -2.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322   -0.6655   -1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.4197   -0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300   -0.8939   -2.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4886   -2.6337   -1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -2.2428    0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4935   -0.5089    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -1.3656    1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6492   -2.1248    1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368    0.1470    2.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234    0.8833    1.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0953    0.6149    3.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1399    0.6917    5.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4258   -0.7713    6.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5502    0.7904    6.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1351   -3.5478   -0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5951   -3.3758    0.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1162   -3.1687   -2.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872   -1.0746   -3.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0094    1.2636   -4.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3945    1.3166   -3.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1391    2.5049   -1.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    1.7093   -3.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3022    1.4097   -0.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
M  END
$$$$

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2024-05-29, 925👍, 0💬