Molecule FYI-1005144

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Molecule Summary:

ID: FYI-1005144
Names:
InChIKey: VCDKNAACYRKLLP-UHFFFAOYSA-N
SMILES: CC(CN)CCC(N)=O

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005144 Edit

Molecule Structure InChIKey: VCDKNAACYRKLLP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(CN)CCC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005144
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 N   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    1.4000    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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005144-3D
FYIcenter.com

 23 22  0     1  0  0  0  0  0999 V2000
   -2.3200    1.2576   -0.6332 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7712    1.6268    0.3767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4277   -0.4653    0.4085 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5728   -0.5544    0.2445 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2520    0.1578   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7992    0.2791   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227   -0.5530    0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709   -1.9448   -0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.1963   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5998   -0.6774    1.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124    0.2954   -1.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2409    1.1661    0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7188   -0.2208    0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384    0.3556   -1.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938   -0.6944    1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935   -1.5423   -0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644   -1.8907   -1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979   -2.6154   -0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -2.4069   -0.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285    2.1159    0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7612    1.5745    1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3515   -0.0829    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3848   -1.3476    0.9086 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 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
$$$$

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2023-11-02, 373👍, 0💬