Molecule FYI-1002091

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A

Molecule Summary:

ID: FYI-1002091
Names:
InChIKey: FQPSGWSUVKBHSU-UHFFFAOYSA-N
SMILES: C=C(C)C(N)=O

Received at FYIcenter.com on: 2023-01-27

Molecule ID: FYI-1002091 Edit

Molecule Structure InChIKey: FQPSGWSUVKBHSU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002091
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002091-3D
FYIcenter.com

 13 12  0     0  0  0  0  0  0999 V2000
   -1.4714   -1.0341   -0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131    1.2446    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7228   -0.0756    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    1.1773   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7749   -0.0212    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2919   -1.2909    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3334    1.7770   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3353    1.7778    0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6189    0.9616   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3722   -1.3997   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160   -2.2102    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7616    2.0955    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3199    1.3720    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
$$$$

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2023-02-19, 2268👍, 0💬