Monomers

1-Buta-1,3-dienylpyrrolidine-2,5-dione

Identifiers

IUPAC name
1-buta-1,3-dienylpyrrolidine-2,5-dione
InchI
InChI=1S/C8H9NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3,6H,1,4-5H2
InchI Key
RWLJMKQXDUTHCU-UHFFFAOYSA-N
SMILES
C=CC=CN1C(=O)CCC1=O
Canonical SMILES
C=CC=CN1C(=O)CCC1=O
Isomeric SMILES
C=CC=CN1C(=O)CCC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H9NO2
Heavy Atom Count
11
Molecular Weight
151.165
Exact Molecular Weight
151.0633
Valence Electrons
58
Radical Electrons
0
tPSA
37.38
MolLogP
0.8351
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.0122   -0.5842   -0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0942   -0.2191   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6710   -0.2265   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7582    0.1384    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112    0.1158    0.1178 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2014    0.8557   -0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832    1.3459   -1.9670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6410    0.9695   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9352   -0.3822    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351   -0.6352    0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5776   -1.4090    1.7313 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0573   -0.5657   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936   -0.8992   -1.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4044    0.0994    0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758   -0.5446   -1.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344    0.4630    1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2791    1.1744   -1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7131    1.7777    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0485   -1.1291   -0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7755   -0.3451    0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10  5  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers