Molecule FYI-1003606

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Molecule Summary:

ID: FYI-1003606
Names:
InChIKey: VQCUMONTEGWEIX-UHFFFAOYSA-N
SMILES: O=C(O)CCC1CCNC1

Received at FYIcenter.com on: 2023-07-10

Molecule ID: FYI-1003606 Edit

Molecule Structure InChIKey: VQCUMONTEGWEIX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCC1CCNC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003606
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.0656    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 C   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  2  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003606-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
    3.7151   -0.9385    0.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0094    1.1131   -0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3831    0.3826    0.1563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0728    0.1644    0.4426 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5466   -1.1160   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1482    1.1696    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    0.5925    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0475   -0.9230   -0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -0.4487    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645    0.0040   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947    0.0127    1.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3295   -1.9924    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -1.2626   -1.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1728    2.0226    0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0141    1.5453   -0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3474    0.8011   -1.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698    1.5400    0.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940   -0.9336   -1.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6222   -1.7169    0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1377    0.8283   -0.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3974   -0.6373    1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785   -1.3881   -0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6073   -0.6250   -0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 23  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  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
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2024👍, 0💬