Molecule FYI-1013533

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A

Molecule Summary:

ID: FYI-1013533
Names:
InChIKey: WRWGCPXFAJKWDW-UHFFFAOYSA-N
SMILES: CC(C)CCNC=O

Received at FYIcenter.com on: 2025-01-01

Molecule ID: FYI-1013533 Edit

Molecule Structure InChIKey: WRWGCPXFAJKWDW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCNC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013533
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013533-3D
FYIcenter.com

 21 20  0     0  0  0  0  0  0999 V2000
    2.6909   -1.1047    0.0642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6313    0.9810    0.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014   -0.1899   -0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5559    0.2422   -0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062    0.5589    0.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7046    0.9088    0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0607   -1.5090    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6942    0.1127   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5304   -0.3221   -1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717   -0.5466   -1.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5856    1.1253   -1.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1225    1.3779    1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895   -0.3165    1.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3124    0.9986    1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105    1.8806   -0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7739    0.6852    0.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5245   -2.2972   -0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997   -1.8346    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6248   -1.4216    1.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924    1.9722   -0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6070    0.6656   -0.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1151👍, 0💬