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
   -2.0106   -2.0293    1.5823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238   -1.1483    0.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8629   -0.9310    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0123    0.0674   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6920    0.5537   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4219    1.4973   -1.4147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6806   -0.1965    0.0530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2712   -0.0509    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.5230   -1.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7395    0.6845   -1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496    0.2779   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135   -0.2929    0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434   -0.4548    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0296    0.4532   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7002   -1.5002    0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9846    0.4416   -0.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2399    0.8529   -1.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2309    1.1346   -1.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5507   -0.6227    1.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0566   -0.9018    1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5484   -0.3056   -0.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4618    0.5006    0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3144    1.4470   -0.5899 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