Molecule FYI-1004352

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Molecule Summary:

ID: FYI-1004352
Names:
InChIKey: OVFQJXJSSRLTRQ-UHFFFAOYSA-N
SMILES: CNCCCNC(C)=O

Received at FYIcenter.com on: 2023-09-01

Molecule ID: FYI-1004352 Edit

Molecule Structure InChIKey: OVFQJXJSSRLTRQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CNCCCNC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004352
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   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
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
  9  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004352-3D
FYIcenter.com

 23 22  0     0  0  0  0  0  0999 V2000
   -2.6133    0.4306   -1.0739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572   -0.0648   -0.5407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2286    0.0768    0.7649 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7958    1.0990   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    1.2794    0.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859    0.0543    0.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8892   -1.0523   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2509   -0.2485   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8871   -1.5747    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.8224   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031    2.0691   -0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0737    2.0763    0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1638    1.5712    1.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827   -0.9178    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0919    0.3350    1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045   -0.5685    1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    0.8389   -0.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284   -2.0439    0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2550   -0.7717    0.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7536   -1.1284   -0.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1108   -1.6421    1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8207   -1.6793   -0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2053   -2.3818   -0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  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 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
$$$$

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2023-09-07, 1534👍, 0💬