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
    4.1063   -0.1265   -0.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9007   -0.3567   -0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7907    0.6064   -0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291    0.3954   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6397    0.1650    0.0560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4987    0.9604    0.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1944    1.8838    1.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8890    0.4275    0.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5643   -1.0570    0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3520   -1.0825   -0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9671   -1.9401   -1.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496   -0.7837   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296    0.7451   -1.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6398   -1.1831    0.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003    1.4606   -1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1961    1.5187   -1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6267    0.7393    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1572    0.6829   -0.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4165   -1.6555    0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366   -1.4000    1.6319 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