Molecule FYI-1009769

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A

Molecule Summary:

ID: FYI-1009769
Names:
InChIKey: ZOUNOZLYDWXEAR-UHFFFAOYSA-N
SMILES: CCC2(CCNC(C)=O)CNC1=CCC(O)C=C12

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

Molecule ID: FYI-1009769 Edit

Molecule Structure InChIKey: ZOUNOZLYDWXEAR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC2(CCNC(C)=O)CNC1=CCC(O)C=C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009769
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.5103    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    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.8046    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
    3.3899    4.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6373    4.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.5046    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  5  1  0  0  0  0
 14 13  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 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009769-3D
FYIcenter.com

 40 41  0  0  1  0  0  0  0  0999 V2000
    0.7129    0.1618    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -0.0492   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0614    1.2150   -0.2860 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4949    0.7034   -0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5590    1.7739   -0.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8512    1.1670   -1.1682 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2385    0.8183   -2.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6081    0.2002   -2.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.9866   -3.4350 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251    2.1501   -1.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7956    3.4898   -0.9155 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9437    3.5129    0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9605    4.5634    1.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769    4.4149    2.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2543    2.9561    3.2723 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1495    2.7021    4.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387    1.8777    2.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0996    2.1550    0.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445   -0.8117    0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    0.6295   -0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898    0.7650    1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2160   -0.6605   -0.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6218   -0.6672    0.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4296    0.0579   -1.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    0.0532    0.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7010    2.4118   -0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2843    2.4043   -1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4408    0.9268   -0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1003    0.1388   -1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2283    0.8077   -3.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5143   -0.8098   -2.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4484    2.0475   -1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260    1.9871   -2.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497    4.2902   -1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8548    5.5685    0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854    4.9634    3.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1199    4.9214    2.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1613    2.8489    3.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3484    2.7727    3.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3490    0.8544    2.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1690👍, 0💬