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
    3.1369    0.9020   -1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5673   -0.0529   -0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785    0.3101    0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3371   -0.1755    0.6788 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2512   -1.3931    1.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431   -2.2975    1.7199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471   -1.3590    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9129   -0.2264    0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964    0.5575    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5766    1.7077   -0.4971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069    0.2317   -0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909    1.9553   -0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7902    0.6316   -1.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7977   -1.0788   -0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6511    1.4129    0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0676   -0.0495    1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3827   -2.1264    0.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6730    1.0355    0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9346   -0.5991   -0.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0791    0.6141   -1.5382 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