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
    4.1574    0.6951    0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8010    0.1690    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210   -0.9013   -0.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0774   -1.0699   -0.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4629   -1.9969   -1.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4606   -0.0024   -0.1234 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305    0.7875    0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543    1.8366    1.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9215    0.2918    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492    1.5246   -0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7841    1.8403   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303    0.8828    0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1221   -0.3507    0.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7795   -0.6567    0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.0114    0.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9110    0.5113   -0.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5009    0.2626    1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0520    1.8009    0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2469   -1.5976   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7763    2.2753   -0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254    2.8241   -0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6798    1.1197    0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7993   -1.0969    1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6364   -2.7364    0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595   -2.0613    1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8916   -2.3400    1.8776 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