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
    4.1155   -0.7485    0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8130   -0.2337    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5966    0.7822   -0.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675    0.9477   -0.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755    1.8280   -1.6758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4809   -0.0310   -0.1762 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933   -0.7708    0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3203   -1.7430    1.2623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9161   -0.2625   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478   -1.5350   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7725   -1.8313   -0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6550   -0.8362    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1842    0.4411    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230    0.7229    0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449    2.0975    0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9529   -0.3847    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1601   -1.8634    0.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2707   -0.3984    1.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4057    1.3642   -1.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259   -2.3020   -0.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1457   -2.8482   -0.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7124   -1.0647    0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8681    1.2479    0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    2.7603   -0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9968    2.5022    1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3121    2.1595    0.8712 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