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
    3.5244   -0.2182    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    0.4380    0.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742    0.9249   -0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624    0.2891   -0.4970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1366   -0.9490   -1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5968   -1.6723   -1.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5263   -1.1920   -0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9676   -0.1999    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719    0.7560    0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9094    1.8331    0.8683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3441   -0.0965    0.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8355   -0.4066   -0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1845   -0.6025    0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    0.6090    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288    2.0254   -0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929    0.6902   -1.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0576   -2.0890   -0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6577    0.9674    0.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3762   -0.4916    1.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0941   -0.6154    0.0463 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