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
    3.5372   -0.0447    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    0.6255   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.2298   -1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476   -0.0999   -0.7685 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1820   -1.4050   -0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847   -2.4716   -0.3404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003   -1.3019   -0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0064   -0.0394   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8607    0.7505   -0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8421    1.9841   -0.9346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3592    0.5215   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -0.8989   -0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1551    0.2544    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.4842    0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454   -0.6322   -1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5764    1.0844   -1.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2399   -2.1138    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3472    1.0126    0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5156    1.3194   -0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1448   -0.2591   -0.0761 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