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
    3.5074    0.5213    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -0.2702    0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6413   -0.5735   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864   -0.1184   -0.5162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2965    1.1593   -0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408    2.1235   -1.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6902    1.1456   -0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -0.0542    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803   -0.8821    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480   -2.0763    0.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2920   -0.4658    0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8374    0.9865   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0528    0.7063    1.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090   -0.7441    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504   -1.6504   -1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -0.0380   -1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3678    1.9976   -0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095    0.4200    1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9009   -0.9047   -0.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814   -1.2822    1.4342 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