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
    4.0411   -0.4492   -0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7590    0.0536   -0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6701    0.9110    0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2636    1.1825    1.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.9449    1.9868 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519    0.4285    0.2036 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -0.2821   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177   -1.0679   -1.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654    0.4177    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6544    1.5955   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0068    1.6273   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7543    0.4819    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0860   -0.7049    0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7113   -0.7421    0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -2.0145    0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8266   -1.2420   -1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031    0.4064   -1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6704   -0.8220    0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4815    1.3554    1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0851    2.4998   -0.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5008    2.5877   -0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8464    0.5299   -0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7098   -1.5897    0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0554   -1.9127    1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6995   -2.6571    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9348   -2.5379   -0.4337 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