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
   -2.2336   -1.8674   -1.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5695   -1.0091   -0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9353   -0.7429    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034    0.2261    0.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5059    0.6526    1.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0395    1.5477    1.8152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765   -0.1258    0.1939 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2642   -0.0425    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923    1.1869    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    1.2983   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5128    0.1800   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9087   -1.0562   -0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -1.1444   -0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818    0.3193   -0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8360   -1.2440   -0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7374    0.6549    1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    2.0446    0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1909    2.2826    0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4923   -1.9683   -0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0778   -2.1307   -0.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123    0.0839   -1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505    1.3019   -0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585   -0.4475    0.2357 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