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
   -1.9124    2.4550    0.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4270    1.3232    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8504    0.9656    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9842   -0.3268   -0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6278   -0.8857   -0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3529   -2.1064   -0.4642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6573    0.1299   -0.0621 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2423    0.0414   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291    1.0995   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9155    0.9834   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063   -0.2101   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7368   -1.2842    0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760   -1.1454    0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9912   -0.3411   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6831    1.6356    0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8963   -0.9012   -0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965    2.0510   -0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477    1.8156   -0.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1747   -2.2407    0.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2408   -1.9894    0.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3306    0.0215   -1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3906    0.2848    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2796   -1.3757    0.0094 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