Molecule FYI-1008705

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A

Molecule Summary:

ID: FYI-1008705
Names:
InChIKey: XZGLAEUHRHZJNH-UHFFFAOYSA-N
SMILES: CC(CN)c1ncon1

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

Molecule ID: FYI-1008705 Edit

Molecule Structure InChIKey: XZGLAEUHRHZJNH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(CN)c1ncon1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008705
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008705-3D
FYIcenter.com

 18 18  0     1  0  0  0  0  0999 V2000
   -2.5530    0.2148   -0.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796    0.6726   -0.0391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916    0.0520    1.0939 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    0.0016   -1.1670 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193   -0.3161   -0.3933 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8438    0.8789    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654   -1.6508    0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4659   -0.0842   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597    0.2312    0.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1774   -0.3891   -1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    1.7933   -0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6402    1.0445    1.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999   -1.6282    1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4961   -1.8952   -0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8285   -2.4705   -0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4944    0.5465   -1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7777    1.5107    0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818    0.3864    1.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2024-04-29, 193👍, 0💬