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
   -4.1435    0.1324   -0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7566    0.0338    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4560   -0.4067    1.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0049   -0.3636    1.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3549   -0.7107    2.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620    0.1409    0.3338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423    0.4038   -0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4457    0.8592   -1.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    0.3736    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.6882   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862    1.9875   -0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5223    1.0002   -0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1124   -0.3098   -0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194   -0.6452   -0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422   -2.0594    0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6413    0.9686    0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0800    0.3215   -1.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6424   -0.8504   -0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1488   -0.7562    2.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504    2.4821   -0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124    3.0152   -0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5627    1.1551   -0.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510   -1.1134   -0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   -2.3207    1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353   -2.7224   -0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5095   -2.3034   -0.3863 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