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
   -3.2132    0.9124   -0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5319    0.3185    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7079   -0.8740   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402   -0.5956    0.1804 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2976   -0.8124    1.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -1.2824    2.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048   -0.3854    1.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9083    0.0602    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6665   -0.0474   -0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580    0.3040   -1.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183    0.5923   -0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8228    1.7972   -0.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2024    0.5651   -1.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5696    0.6969    1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -1.7383    0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523   -1.1609   -1.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643   -0.4207    2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0547    0.2219    0.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1719   -1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1815    1.6767   -0.5172 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