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
    3.4986    0.4916    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4268   -0.2510    0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6387   -0.7265   -0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801   -0.2043   -0.4653 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2202    1.0290   -0.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212    1.8971   -1.6327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6461    1.1108   -0.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906    0.0372    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8132   -0.8293    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -1.9452    0.7691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226   -0.3120    0.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800    0.7382   -0.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1068    0.8624    1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1636   -0.4864    1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961   -0.3924   -1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5869   -1.8476   -0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2950    1.9436   -0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1952   -0.9363    1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479   -0.8007   -0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8360    0.6217    1.0219 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