Monomers

1-(3-Methylphenyl)-1h-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
InchI Key
PRZFFHNZHXGTRC-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC(=CC=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
   -3.0369    1.7291    0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459    0.5537    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7299   -0.6736   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8872   -1.7295   -0.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -1.5683   -0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862   -0.3426   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7734    0.7108    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979   -0.1882   -0.1046 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3357   -0.5442    0.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0066   -1.0349    2.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7091   -0.2403    0.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7459    0.2704   -0.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3663    0.3145   -1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9995    0.7352   -2.2339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5384    1.5146    1.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3969    2.6385    0.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7230    1.9043   -0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7964   -0.8178   -0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2989   -2.7216   -0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1511   -2.4069   -0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3508    1.6801    0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6330   -0.3705    1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6521    0.5872   -1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 13  8  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers