Molecule FYI-1004642

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Molecule Summary:

ID: FYI-1004642
Names:
InChIKey: MQULGFFXMBRPCI-UHFFFAOYSA-N
SMILES: CC1CC2C(=O)N(C)C12

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

Molecule ID: FYI-1004642 Edit

Molecule Structure InChIKey: MQULGFFXMBRPCI-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004642
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    2.3899    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    2.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    3.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    3.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    4.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1113    0.0000    0.0000 C   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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004642-3D
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
    0.8064    0.3535    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    0.1446    0.1584 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3004    1.0703   -0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8619    0.3446   -1.9060 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0258   -0.9303   -2.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5613   -1.2674   -3.7884 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1447   -1.5694   -1.9158 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8698   -2.9738   -1.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018   -0.9223   -0.7966 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5635    1.3010    0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3418   -0.4515    0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3374    0.3498   -0.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6701   -0.0008    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3624    0.9634   -0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507    2.1362   -0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337    0.8295   -2.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6295   -3.2488   -3.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -3.1831   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7424   -3.5443   -1.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687   -1.3753   -0.5218 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, 2138👍, 0💬