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
    4.0614    0.3445    0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -0.1302   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7117    0.1003    0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8064   -0.4013   -0.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6015   -0.1935   -0.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060    1.0312   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    2.1721   -0.1521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7728    0.8115   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311   -0.7017   -0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5703   -1.2126   -0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3618   -2.3890    0.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7612    0.9213    1.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1112    0.1926    0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -0.7046   -0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    0.6792    1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530   -0.9721   -1.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1245    1.3178   -1.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2297    1.2182    0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1225   -0.9989   -1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7053   -1.0849    0.2359 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