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
    2.4174   -0.8260   -0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147    0.2694   -0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789    1.0486    0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4551    0.4547    0.6721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0564   -0.5159    1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5680   -1.0427    2.5601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -0.8059    1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670   -0.0886    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6219    0.7087   -0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5978    1.5131   -1.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172   -0.1360   -0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1372   -1.3727   -1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4107   -1.2257   -0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7433    0.6379   -0.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    2.0589    0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1334    1.2300    1.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -1.5158    1.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4824   -1.1672   -0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7839    0.4793    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0696    0.2959   -1.5487 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