Molecule FYI-1004644

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A

Molecule Summary:

ID: FYI-1004644
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-1004644 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-1004644
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-1004644-3D
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
    2.9099    0.2882    1.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728    0.3896    0.0498 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4788    1.1916   -0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467    0.4459   -2.0253 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9372   -0.8440   -2.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099   -1.2154   -3.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1023   -1.4470   -1.9306 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8590   -2.8616   -1.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8356   -0.7733   -0.8667 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7127    1.2299    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9810    0.0762    1.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -0.5060    2.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221    0.7018   -0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5475    1.0044   -0.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3140    2.2733   -0.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921    0.9387   -2.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909   -3.1609   -2.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -3.0866   -1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556   -3.4072   -1.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -1.2519   -0.6426 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, 1572👍, 0💬