Molecule FYI-1006370

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A

Molecule Summary:

ID: FYI-1006370
Names:
InChIKey: LGFUGDIGUMLNBI-UHFFFAOYSA-N
SMILES: NC(=O)C1CCCCC1C(N)=O

Received at FYIcenter.com on: 2023-12-12

Molecule ID: FYI-1006370 Edit

Molecule Structure InChIKey: LGFUGDIGUMLNBI-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)C1CCCCC1C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006370
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.9131    2.4821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    2.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    4.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    2.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    1.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9131    1.9501    0.0000 O   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006370-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
   -2.0888    0.4112   -1.3397 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    0.3970    1.3397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7630    1.4320    0.6091 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7400    1.4666   -0.5919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5817    0.4094    0.5191 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5642    0.4321   -0.5013 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7077   -0.9049    1.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7054   -0.8606   -1.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6026   -2.1463    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6524   -2.1170   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8741    0.7342   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8631    0.7465    0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    1.2101    1.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822    1.2495   -1.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593   -0.9387    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775   -0.9542    2.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6471   -0.8603   -1.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920   -0.9176   -2.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880   -2.2203   -0.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5951   -3.0427    1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5413   -2.1692    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755   -3.0036   -1.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6677    1.7127    0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5635    1.6832    1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    1.7427   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5285    1.7397   -1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 1486👍, 0💬