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
    3.2744    0.9988    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380   -0.0711    0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6396   -0.6174   -0.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664   -0.5916   -0.3094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4156   -1.6218    0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -2.7350    0.7463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846   -1.1354    0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9339    0.0772    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6798    0.4599   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4332    1.5385   -1.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1383    0.9643    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9435    1.4519    0.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2236    1.4798   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.5167    1.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200   -0.0119   -1.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321   -1.6778   -0.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740   -1.6649    1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6412    0.8868   -0.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7913    0.7542    1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7976    2.0323    0.3286 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