Molecule FYI-1001306

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Molecule Summary:

ID: FYI-1001306
SMILES: C[C@@H]1CCC(=O)N1

Received at FYIcenter.com on: 2022-05-09

Molecule ID: FYI-1001306 Edit

Molecule Structure SMILES String: C[C@@H]1CCC(=O)N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001306
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001306-3D
FYIcenter.com

 16 16  0  0  1  0  0  0  0  0999 V2000
    1.0900    0.0236   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -0.0134   -0.0086 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1656   -1.2755    0.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4545   -0.8320    1.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3408    0.6684    1.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1526    1.4327    1.8764 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691    1.0488    0.7738 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6912   -0.7972   -0.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7299    0.9676   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726   -0.0619    0.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011    0.0962   -1.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510   -2.0618   -0.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4736   -1.6880    1.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3378   -1.1079    0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5233   -1.2443    2.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    2.0343    0.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  6  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 2002👍, 0💬