Molecule FYI-1008586

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A

Molecule Summary:

ID: FYI-1008586
Names:
InChIKey: VMEJNHWPMWSWRE-UHFFFAOYSA-N
SMILES: O=c2[nH]ccc1CCNCc12

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008586 Edit

Molecule Structure InChIKey: VMEJNHWPMWSWRE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2[nH]ccc1CCNCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008586
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008586-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    1.6322    2.1481    0.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4656    0.9019   -0.3476 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605   -0.0358    0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6692   -1.4222   -0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -0.8786   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0342    0.4480    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061   -0.3591    0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    1.4554    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286   -1.8246   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    0.9457    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0890   -1.3789   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8957   -1.8102   -1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -2.2601    0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7066   -0.7275    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6951   -0.1908    1.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2104    1.9177    1.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9280    2.2535   -0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1916    1.5750   -0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6145   -2.8867   -0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9461   -2.0398   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3363    0.2458    0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$

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2024-06-03, 184👍, 0💬