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
    4.1064   -0.1045    0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589   -0.2421   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424   -0.9403   -1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0274   -0.7954   -1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3535   -1.3167   -2.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844    0.0402   -0.3351 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579    0.4026    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760    1.1558    1.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    0.4322   -0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1946    1.7276   -0.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4986    2.1612   -0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4704    1.3172    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1797    0.0258    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570   -0.3871    0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5245   -1.7637    0.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9176   -0.3836   -0.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    0.9221    0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1637   -0.8233    1.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1107   -1.5294   -1.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4063    2.3888   -0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7592    3.1471   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5136    1.6424    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9616   -0.6053    0.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4595   -2.3985    0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8285   -2.2658    0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1126   -1.8075    1.7263 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