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
   -3.5432    0.4656    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4808   -0.2620    0.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6058   -0.7531   -0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2664   -0.2252   -0.4901 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2708    0.9889   -0.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438    1.8229   -1.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6451    1.0740   -0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665    0.0209    0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7812   -0.8382    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7624   -1.9364    0.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942   -0.2023    0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1981    0.8374    0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7980    0.7202   -0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2299   -0.5131    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9430   -0.4157   -1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578   -1.8534   -0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174    1.8903   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962   -0.8985    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1965   -0.6652    1.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8364    0.7430    0.9075 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