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
    4.0131   -0.4415    0.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273   -0.4493    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696   -1.0228   -1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0851   -0.7818   -1.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420   -1.2056   -2.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668    0.0005   -0.4258 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941    0.2077    0.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095    0.8491    1.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8587    0.4922   -0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167    1.6991   -0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026    2.1903   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4711    1.4594   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592    0.2485    0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8506   -0.2185    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757   -1.5095    0.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8342   -0.7078    1.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172    0.6006    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7530   -1.0619    0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -1.5859   -1.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4725    2.2871   -1.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8080    3.1267   -1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5001    1.7810   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9054   -0.3560    0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611   -2.3264    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053   -1.4678    1.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2664   -1.8072    1.6226 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