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
   -4.1548   -0.1222   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604   -0.2041    0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3945   -0.1791    1.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9341   -0.2781    1.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847   -0.2807    2.7046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4092   -0.3640    0.2995 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5492   -0.3196   -0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4180   -0.3774   -1.8411 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592   -0.4304   -0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6099   -1.5572   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -1.5957   -0.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652   -0.4299   -0.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0588    0.7353   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7399    0.7445   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586    1.9663    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3369    0.8600   -0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9087   -0.2936    0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2787   -0.8875   -1.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0711   -0.0927    2.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599   -2.4973   -0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3948   -2.5330   -1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7032   -0.4048   -1.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    1.6811   -0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    1.8572    1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7233    2.8565    0.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1118    2.1462   -0.1957 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