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

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
    2.2737   -2.2479   -0.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5595   -1.0407   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9200   -0.4908   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8967    0.7905   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4957    1.1957   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1269    2.3965    0.2525 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6912    0.0362   -0.1924 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2699   -0.0138   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3937   -1.1903    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882   -1.2392    0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420   -0.1033    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862    1.0678   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5015    1.1164   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0112   -0.1341    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400   -1.0484   -0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7301    1.4756   -0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049   -2.0759    0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2354   -2.1989    0.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4205    1.9825   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132    2.0491   -0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3289    0.8515    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5340   -0.1963   -0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3801   -0.9825    0.7513 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