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
   -3.3715   -0.3160    0.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4190   -0.7284    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495    0.2349   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3243    0.3016   -0.5517 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    1.2034    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798    2.0507    1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    0.9883    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918    0.0296   -0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.4316   -1.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933   -1.3374   -1.9949 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230   -0.5313   -0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6913    0.7138    0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8639   -1.0203    1.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1493   -1.7804    0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2546    1.2149   -0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -0.0741   -1.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    1.5311    0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3094   -0.7421   -1.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4553   -1.4894   -0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1234    0.1826   -0.6620 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