Monomers

1-(4-Methylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.0200    0.9053    1.9906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5061    0.3741    0.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9072    0.1668    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9513   -0.4163   -0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6040   -0.6286   -1.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2893   -1.1556   -2.1826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933   -0.1249   -0.1281 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501   -0.0910   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5071   -1.1980   -0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849   -1.1005   -0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422    0.0792   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7672    1.2031    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4001    1.0971    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0127    0.2354   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7656    0.4273    1.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8976   -0.6921   -1.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0061   -2.1333   -0.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815   -1.9954   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2521    2.1485    0.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1942    1.9645    0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4138    0.2889    0.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5158   -0.5840   -0.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    1.2294   -0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers