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
    3.4209    0.2634   -1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3010   -0.4345   -0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -0.6756    0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.1136    0.4299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0837    1.1908    0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6945    2.0908    1.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    1.2599    0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538    0.0800    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8428   -0.8339    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487   -2.0225   -0.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815   -0.2386   -0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.4528   -1.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8765    0.6596   -0.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -0.8549   -1.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166   -0.2466    1.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6491   -1.7833    0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1641    2.1020    0.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9387    0.6960   -0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4522   -0.9374   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8009   -0.6547    0.8324 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