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
   -3.3837    0.9407   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5622   -0.0187    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509   -0.7070   -0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2599   -0.5607   -0.3899 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4643   -1.4519    0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0405   -2.5057    1.0311 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176   -0.9575    0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9475    0.1431   -0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702    0.4435   -0.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4058    1.4005   -1.5038 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1635    0.9961   -0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0183    1.4035    0.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4148    1.2585   -1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420   -0.3286    1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787   -1.8110   -0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8575   -0.3653   -1.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6100   -1.4208    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3275    1.5659    0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0545    0.3219   -0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0664    1.6536   -1.1806 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