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
    3.2815    1.0802   -0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5682    0.2238    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -0.7753   -0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947   -0.6182   -0.0365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731   -1.2391    1.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106   -2.0611    1.8983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7600   -0.7960    1.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9176    0.0423    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6806    0.2024   -0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5195    0.9418   -1.6850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2283    0.7160   -0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9221    1.7842    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2279    1.0818   -1.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396    0.2422    1.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0592   -1.7803   -0.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8268   -0.6798   -1.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5407   -1.0875    1.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4243    1.3933    0.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1038    1.3545   -1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0430   -0.0254   -0.3215 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