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
   -3.3276    0.6070   -0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5463   -0.2968   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6441    0.0677    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560   -0.1884    0.6422 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407   -1.4127    0.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0494   -2.4650    1.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941   -1.2135    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9333   -0.0048   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6699    0.7033    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4191    1.9000   -0.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1501    0.6277   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279    1.6318   -0.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9558    0.2866   -1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5365   -1.3218   -0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7843    1.1468    1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9617   -0.4970    1.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5942   -1.9498    0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447   -0.1441   -1.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900    1.4324   -1.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535    1.0906    0.1000 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