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
    3.2438    1.0301    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109    0.1831    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246   -0.8708   -0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185   -1.6275   -1.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815   -1.3089   -1.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1445   -0.2567   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8898    0.4688    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5129    0.0217   -0.0499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6020    0.2439   -0.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5569    0.2323   -2.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7880    0.4890   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4744    0.4265    1.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484    0.1340    1.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3813   -0.0020    2.3632 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2554    0.5918    0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1903    2.0546    0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9843    1.0913    1.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5822   -1.0726   -0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874   -2.4627   -2.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489   -1.9348   -1.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394    1.3093    0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8061    0.6953   -0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1447    0.5643    2.0647 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