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
   -4.1490    0.1139   -0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7986    0.2685   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4441    1.0246    0.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879    0.8477    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3315    1.4266    2.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851   -0.0624    0.2391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5975   -0.4382   -0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5187   -1.2425   -1.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579   -0.5015    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049   -1.8370    0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -2.2746    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851   -1.3326   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.0123   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8814    0.4050   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409    1.8517   -0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010   -0.9132   -1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9503    0.3307    0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2487    0.8272   -1.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954    1.6676    1.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3887   -2.5276    0.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615   -3.3428    0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057   -1.6582   -0.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0024    0.7154   -0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4908    2.0122   -0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652    2.3593    0.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2309    2.2678   -0.9957 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