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
    3.9528    0.3523   -0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798   -0.2142   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5783   -1.2632    0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1549   -1.4992    0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7381   -2.4408    1.3759 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946   -0.5204   -0.0640 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3481    0.2935   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1024    1.2986   -1.4954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0169   -0.3914   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -1.4410   -0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123   -1.2985   -0.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7948   -0.1230   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9611    0.9140    0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5992    0.7790    0.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7520    1.8845    0.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8283   -0.0905   -0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    0.1530   -2.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0175    1.4483   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4043   -1.8577    0.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646   -2.3596   -0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8049   -2.1274   -0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8695   -0.0128   -0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3831    1.8586    0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231    2.6843    0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    2.3985    1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2569    1.5751    1.1507 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