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
    4.1074    0.5936    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7395    0.3202   -0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3947   -0.1375   -1.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -0.2549   -1.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3002   -0.6608   -2.7271 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3745    0.1741   -0.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.5327    0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254    0.9686    1.4972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0002    0.2335   -0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7837    1.2683   -0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1344    1.3513   -0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7182    0.3912    0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551   -0.6527    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6198   -0.7026    0.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157   -1.8338    1.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4235    1.5815   -0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    0.5302    1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7996   -0.2065   -0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069   -0.3880   -2.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3932    2.0661   -1.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7485    2.1728   -0.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7861    0.4388    0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -1.4197    1.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5492   -2.4891    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075   -1.4383    1.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3755   -2.4391    1.9130 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