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
    3.5726   -0.0331   -0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997    0.5759   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6051   -0.0796    0.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570   -0.2120    0.4869 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338   -1.3272   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3674   -2.3650   -0.6009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419   -1.0648   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0187    0.1072   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452    0.6748    0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851    1.7813    1.2099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3671    0.7047   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555   -1.0411   -0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2168    0.4689   -1.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    1.5831   -0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6233    0.4357    1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0065   -1.1052    1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3062   -1.7275   -1.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1322   -0.0983   -0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4047    1.3993   -1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5588    1.3229    0.7681 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