Molecule FYI-1009407

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A

Molecule Summary:

ID: FYI-1009407
Names:
InChIKey: OHBFJGIPWRSZPL-UHFFFAOYSA-N
SMILES: COC1C=CN=C(NC(C)=O)C1

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009407 Edit

Molecule Structure InChIKey: OHBFJGIPWRSZPL-UHFFFAOYSA-N

Molecule Structure SMILES String: COC1C=CN=C(NC(C)=O)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009407
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 12  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009407-3D
FYIcenter.com

 24 24  0  0  1  0  0  0  0  0999 V2000
    0.6848    0.0198    0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0791   -0.1938   -0.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -1.0573    0.8801 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1626   -2.4498    0.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395   -3.4499    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2520   -3.3353   -0.0453 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285   -2.1888    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1550   -2.1557   -0.2230 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0698   -1.1238   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4429   -1.4556   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8415   -0.0288    0.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1881   -0.9557    0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4095    0.9156   -0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4159    0.1719    1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1282   -0.8248   -0.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4090   -0.6766    1.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233   -2.6474    0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5149   -4.4479    0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4689   -3.0380   -0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4924   -2.4575   -1.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1573   -1.3956    0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7130   -0.7284   -1.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4450   -0.0874    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6436   -0.8148    1.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1213👍, 0💬