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
    3.7390   -1.4029   -0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9976   -0.3366   -0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922   -0.4469   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8458    0.6304   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400    0.5497    0.2413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1417   -0.0306    1.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5085   -0.6574    2.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5962    0.2649    1.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171    0.3486   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5726    1.0630   -0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153    1.9304   -1.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948   -1.3769   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3243   -2.4072   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276    0.6398   -0.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1329   -1.4067   -0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437    1.6379   -0.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883    1.2928    1.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2263   -0.5008    1.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7297    0.8863   -0.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7624   -0.6778   -0.6381 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