Monomers

1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-

Identifiers

IUPAC name
3-methyl-1-prop-2-enylpyrrole-2,5-dione
InchI
InChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3,5H,1,4H2,2H3
InchI Key
FGERGCLLTZOZLN-UHFFFAOYSA-N
SMILES
C=CCN1C(=O)C=C(C1=O)C
Canonical SMILES
CC1=CC(=O)N(C1=O)CC=C
Isomeric SMILES
CC1=CC(=O)N(C1=O)CC=C
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
0.4875
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
   -2.3621   -0.6042   -1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6679    0.3647   -0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709    0.9564    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4628    0.3396    0.3835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353   -0.7815    1.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7416   -1.4514    1.9700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548   -1.0039    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7738   -0.1243   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6460    0.7548   -0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102    1.7239   -1.2184 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1525   -0.0368   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0628   -1.0013   -2.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720   -1.0356   -1.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6853    0.7909   -0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306    0.7596    1.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794    2.0558    0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810   -1.7853    1.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240   -0.1079    0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540    0.9973   -1.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   -0.8110   -1.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
  9  4  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  7 17  1  0
 11 18  1  0
 11 19  1  0
 11 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers