Molecule FYI-1004640

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A

Molecule Summary:

ID: FYI-1004640
Names:
InChIKey: NSRPFJGOCZUUHE-UHFFFAOYSA-N
SMILES: CC1CCC(=O)NC1

Received at FYIcenter.com on: 2023-09-16

Molecule ID: FYI-1004640 Edit

Molecule Structure InChIKey: NSRPFJGOCZUUHE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1CCC(=O)NC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004640
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.6133    0.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6133    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4009    2.8400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885    0.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4009    0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8258    2.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004640-3D
FYIcenter.com

 19 19  0     1  0  0  0  0  0999 V2000
   -2.7265   -0.0323   -0.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475   -1.1797    0.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    0.0125    0.3314 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7160    1.2205   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6943   -1.2497   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365    1.2813    0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8881   -0.0293   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4945   -0.0232    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3194    0.0852    1.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627    1.1531   -1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245    2.1482   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877   -1.4362   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395   -2.1261    0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    2.0493   -0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7864    1.5685    1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003    0.8691    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3739   -0.8984    0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335   -0.0897   -1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2572   -2.0564   -0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2192👍, 0💬