Molecule FYI-1004641

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A

Molecule Summary:

ID: FYI-1004641
Names:
InChIKey: QOIKGEKMZHDJNZ-UHFFFAOYSA-N
SMILES: CN2C(=O)C1CCC12

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

Molecule ID: FYI-1004641 Edit

Molecule Structure InChIKey: QOIKGEKMZHDJNZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CN2C(=O)C1CCC12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004641
FYIcenter.com

  8  9  0  0  0  0  0  0  0  0999 V2000
    2.3899    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    3.7899    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004641-3D
FYIcenter.com

 17 18  0     1  0  0  0  0  0999 V2000
    1.5458    1.6083    0.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860   -0.5809   -0.1114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686   -0.7758   -0.5895 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7057    0.7603   -0.5795 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6844   -0.8784    0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9060    0.6418    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7444    0.7696   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885   -1.5450    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6885   -1.2708   -1.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666    1.2376   -1.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3604   -1.2312    1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -1.4750    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.9248   -0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7991    1.1776    1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4131   -2.1814    1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009   -2.1534   -0.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6979   -1.0347    0.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2657👍, 0💬