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
   -3.1129    0.0057   -1.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1644   -0.1194   -0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6005   -0.3713    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6609   -0.4738    1.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3077   -0.3258    1.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182   -0.0729    0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8357    0.0255   -0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769    0.0913    0.0730 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2071    1.3008    0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8321    2.4552    0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5762    0.9955   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578   -0.2980   -0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3438   -0.9137   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278   -2.1349   -0.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1356    1.1082   -1.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6082   -0.4600   -2.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1003   -0.4116   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684   -0.4935    1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0154   -0.6764    3.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4398   -0.4034    2.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4989    0.2288   -1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3698    1.7325   -0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594   -0.7890   -1.0258 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