Molecule FYI-1004645

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A

Molecule Summary:

ID: FYI-1004645
Names:
InChIKey: MQULGFFXMBRPCI-DUAGOPDLSA-N
SMILES: CC1CC2C(=O)N(C)C12

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

Molecule ID: FYI-1004645 Edit

Molecule Structure InChIKey: MQULGFFXMBRPCI-DUAGOPDLSA-N

Molecule Structure SMILES String: CC1CC2C(=O)N(C)C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004645
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101    4.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900    4.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5214    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.6203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5999    0.0000 H   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  1  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  2  5  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  1  0  0  0
  3 11  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004645-3D
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
    0.8039    0.2622    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063    0.0388    0.0972 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2995    0.9601   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505    0.2345   -1.9686 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0119   -1.0382   -2.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5486   -1.3693   -3.8520 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1371   -1.6804   -1.9743 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833   -3.0896   -2.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7934   -1.0306   -0.8585 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5720    1.2083    0.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299   -0.5432    0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3352    0.2749   -0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.1091    1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3610    0.8471   -0.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0554    2.0267   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222    0.7212   -2.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6340   -3.3654   -3.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381   -3.3146   -1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687   -3.6479   -1.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7611   -1.4831   -0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2780👍, 0💬