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
   -3.1440   -0.8721   -1.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1440   -0.4096   -0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5613   -0.1026    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6865    0.3330    2.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484    0.4700    1.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.1727    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018   -0.2577   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4696    0.3089    0.1980 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2889    1.4429   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8769    2.6258    0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    0.9996   -0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6955   -0.3175   -0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406   -0.7987    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0684   -2.0209    0.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6364   -1.8266   -0.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6099   -1.0252   -2.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9090   -0.1004   -1.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6075   -0.2062    1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0339    0.5689    3.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3876    0.8022    2.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -0.4854   -1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4867    1.6350   -0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5644   -0.9360   -0.5412 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