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
   -3.3909    1.0710    0.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0915    1.2118    1.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127    1.3011   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    0.2670   -0.2498 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2691   -1.0233   -0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2677   -1.4712   -1.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121   -1.6865   -0.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856   -0.8647    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666    0.3694    0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    1.3446    0.9572 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1901   -1.1454    0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8213    1.0203   -0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0647    1.0022    1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7181    1.2565    2.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6818    2.2935   -0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8120    1.3294   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -2.6980   -0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8882   -0.9468   -0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3284   -2.1843    0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4744   -0.4465    1.3230 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