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
    3.3166    1.0328   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5564   -0.0291   -0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6819   -0.5881    0.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2892   -0.5672    0.3165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065   -1.6006   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1224   -2.6954   -0.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704   -1.1320   -0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510    0.0694   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788    0.4654    0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357    1.5444    1.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1988    0.9059   -0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3158    1.5345    0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9380    1.4226   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664   -0.5285   -1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   -1.6045    1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7983    0.0608    1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5614   -1.6809   -1.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7236    0.8090   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9098    0.6030    0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9511    1.9785   -0.0275 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