Molecule FYI-1015896

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A

Molecule Summary:

ID: FYI-1015896
Names:
InChIKey: ATHWBNYVLNKQJY-UHFFFAOYSA-N
SMILES: CCCNC1=CC(=O)CC(C)(C)C1

Received at FYIcenter.com on: 2025-10-29

Molecule ID: FYI-1015896 Edit

Molecule Structure InChIKey: ATHWBNYVLNKQJY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCNC1=CC(=O)CC(C)(C)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015896
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015896-3D
FYIcenter.com

 32 32  0     0  0  0  0  0  0999 V2000
   -1.5195   -2.7877    0.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    0.7832   -0.1480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.7974    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059    1.2575   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4602   -0.6388   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    0.2626   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2794    0.8741    1.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2724    1.7314   -0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -1.5825   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0523   -1.0445   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -0.1095    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0104    0.6851   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177   -0.2282    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611    2.2163    0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8354    1.4492   -1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5893   -0.6699   -1.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3787   -1.0263    0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099    1.8986    1.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2689    0.5636    1.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399    0.2335    2.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1101    2.7677   -0.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2643    1.7137   -1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2743    1.4332   -0.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8179   -1.7864    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021    1.7745   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -0.6436    0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338   -0.8442   -0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0942    1.2478   -0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0089    1.4219    0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793   -0.7797    1.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2648   -0.9524   -0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1408    0.3596    0.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END
$$$$

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2025-11-06, 824👍, 0💬