Molecule FYI-1004351

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Molecule Summary:

ID: FYI-1004351
Names:
InChIKey: XOAXMMIFZLIULY-ONEGZZNKSA-N
SMILES: CN/C=C/CNC(C)=O

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

Molecule ID: FYI-1004351 Edit

Molecule Structure InChIKey: XOAXMMIFZLIULY-ONEGZZNKSA-N

Molecule Structure SMILES String: CN/C=C/CNC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004351
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  2  0  0  0  0
  9  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004351-3D
FYIcenter.com

 21 20  0     0  0  0  0  0  0999 V2000
    1.6966   -1.2727   -0.7922 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6170    0.8737    0.1082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730   -0.1291    0.4971 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4480    1.3360   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7604    1.0208    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7488    0.2173   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1472   -0.4004   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596   -0.6351    0.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8861   -1.0105   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4060    0.8743   -1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397    2.4191   -0.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294    1.4815    1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.5097    0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6924   -0.2449   -1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0015    0.2571    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0470   -0.7686    1.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8824   -1.5340    0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    0.2142    0.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3197   -0.5977   -0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4674   -1.9983   -0.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6903   -1.1346    0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$

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2023-09-07, 882👍, 0💬