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
    4.0443    0.4473    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405   -0.2051   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6925    0.0634    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6607   -0.5822   -0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6301   -0.2737   -0.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2454    1.0025   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6736    2.1351    0.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7022    0.7732   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8667   -0.5547    0.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5225   -1.1619    0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758   -2.2868    1.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8822    1.1671    0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    0.2640   -0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2077   -0.9427   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    0.7920    0.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8031   -1.2978   -1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2794    1.5922    0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9700    0.7150   -1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5327   -1.2039   -0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2308   -0.4430    1.6210 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