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
    3.5577    1.9350    0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226    0.8042    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    0.7013    0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8932   -0.4455    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   -0.5859   -0.0484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5439    0.1828    0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    0.9153    1.5477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7627   -0.0799   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5031   -1.5184   -0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0428   -1.4614   -1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087   -2.0565   -1.9254 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414    2.7914    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5889    2.0227    0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284   -0.0537    0.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102    1.5584   -0.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3905   -1.3202    0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482    0.5522   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6937    0.0146    0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -1.7970   -1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710   -2.1595    0.1683 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