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
    4.1760    0.0416   -0.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8154    0.2436   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5121    1.0861    0.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0758    0.9813    1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290    1.6425    2.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857    0.0091    0.3499 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5935   -0.4521   -0.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012   -1.3236   -1.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8665   -0.4286    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2705   -1.6590    0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5716   -2.1084    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280   -1.3019    0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1628   -0.0649   -0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8487    0.3664   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5524    1.7094   -0.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583   -0.9912   -0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8925    0.7468   -0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860    0.1639   -1.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    1.7434    1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5416   -2.3171    1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8694   -3.0843    1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5537   -1.6806    0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9438    0.5469   -0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420    2.3679   -0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316    1.6272   -1.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558    2.1355   -0.3776 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