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
    3.9061   -0.9939   -0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621   -0.0388   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6293   -0.2985   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8057    0.6716    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070    0.4643    0.1915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3668    0.0711   -0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852   -0.3421   -2.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896    0.2563   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7296   -0.1048    0.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4814    0.6047    1.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2073    1.2100    2.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5134   -1.9626   -0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9724   -0.8412   -0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686    0.9362    0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277   -1.2637   -0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    1.6621    0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4804   -0.3892   -1.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0886    1.3335   -0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6118    0.2232    1.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5086   -1.1981    1.0433 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