Molecule FYI-1004643

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A

Molecule Summary:

ID: FYI-1004643
Names:
InChIKey: MQULGFFXMBRPCI-HCWXCVPCSA-N
SMILES: C[C@H]1CC2C(=O)N(C)C12

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

Molecule ID: FYI-1004643 Edit

Molecule Structure InChIKey: MQULGFFXMBRPCI-HCWXCVPCSA-N

Molecule Structure SMILES String: C[C@H]1CC2C(=O)N(C)C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004643
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  1  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-1004643-3D
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
    2.8798    0.1506    1.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    0.2545    0.0007 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4516    1.0546   -0.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184    0.3113   -2.0746 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9055   -0.9778   -2.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833   -1.3516   -3.9453 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696   -1.5800   -1.9821 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254   -2.9950   -2.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8035   -0.9081   -0.9171 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6845    1.0921    1.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9503   -0.0639    1.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3327   -0.6435    1.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926    0.5693   -0.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5196    0.8640   -0.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2901    2.1370   -0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642    0.8070   -2.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5537   -3.2915   -3.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998   -3.2196   -1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   -3.5405   -1.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.3892   -0.6915 H   0  0  0  0  0  0  0  0  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  1  1  0  0  0  0
  2 13  1  6  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, 2052👍, 0💬