Molecule FYI-1015717

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A

Molecule Summary:

ID: FYI-1015717
Names:
InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-N
SMILES: Cc1ncc(N(=O)=O)n1CCO

Received at FYIcenter.com on: 2025-09-30

Molecule ID: FYI-1015717 Edit

Molecule Structure InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ncc(N(=O)=O)n1CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015717
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.2073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.4098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    3.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7433    4.2680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343    5.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    3.8353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015717-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    3.2301    1.6554   -0.2213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6598    1.6655   -0.1573 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6054    2.2340    0.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076   -0.4284    0.2301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9747   -2.2460   -0.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4573    1.3468    0.0717 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3441    0.3929    0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145   -1.7861    0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0672    0.0050   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070    0.8894   -0.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -1.1345   -0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4394   -2.5939    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0735    1.1799    1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249   -0.2261    1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744    0.0557   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4817    1.5152   -1.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8282   -1.2180   -0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427   -3.6397   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464   -2.2422   -0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825   -2.5712    1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8954    2.4065    0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 21  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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