Monomers

3-Methyl-1-(2-methylphenyl)pyrrole-2,5-dione

Identifiers

IUPAC name
3-methyl-1-(2-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12(13)15/h3-7H,1-2H3
InchI Key
HGGWGNOOIKZWES-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)c1ccccc1C
Canonical SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=O)C
Isomeric SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.8145
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

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.1104    0.1283    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021    0.2386   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    0.4040   -1.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9618    0.4699   -1.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4016    0.6243   -2.7899 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3747    0.3335   -0.3732 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4676    0.1897    0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4213    0.0426    1.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230    0.3494   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332    1.3971   -0.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812    1.3769   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7759    0.3275    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9578   -0.7032    0.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916   -0.7019    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7605   -1.8403    0.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812   -0.4526    1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6809   -0.4590   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5302    1.1391    0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1424    0.4780   -2.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3941    2.2252   -1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7563    2.2382   -0.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8421    0.3149    0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681   -1.5490    1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340   -1.9839    0.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5739   -1.8117    2.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3825   -2.7755    0.8563 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
 15 24  1  0
 15 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers