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
   -2.3984    1.1481    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7159    0.0553   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139   -1.0024   -0.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4245   -0.6951   -0.1716 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0491   -1.0376    1.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -1.6816    2.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4023   -0.5095    1.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7565    0.1087    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6296    0.0160   -0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634    0.5169   -1.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708    0.7667   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1370    1.9024    0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3923    1.2697    0.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -0.0831   -0.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275   -1.1447   -1.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1188   -1.9654   -0.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0563   -0.6028    2.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3775    1.3160    0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9616    1.5648   -0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8400    0.0575   -0.4619 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