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
    4.0100    0.7316   -1.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7670    0.3856   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6394    0.2885    1.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2528   -0.0736    1.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.2510    2.5138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129   -0.1975    0.1543 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549    0.0889   -0.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837    0.0827   -2.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8629   -0.5379    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560   -1.8118   -0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710   -2.1568   -0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5709   -1.2651   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -0.0003    0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.3530    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4938    1.7190    0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066    1.0023   -0.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.5575   -1.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3828   -0.1338   -1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3989    0.4408    1.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4457   -2.4923   -0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8669   -3.1564   -0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6232   -1.5521   -0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9603    0.7450    0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5351    2.3659   -0.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2603    2.1117    1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757    1.7562    1.1677 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