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
    3.9668    0.3588   -0.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132   -0.1504   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327   -1.0113    0.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599   -1.2875    0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8202   -2.0692    1.8993 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462   -0.5122    0.1137 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465    0.1980   -0.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0342    1.0087   -1.6542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846   -0.4515    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7602   -1.5767   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1415   -1.4998   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8016   -0.2985    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0298    0.8282    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6365    0.7533    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8385    1.9780    0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394   -0.4690   -1.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5046    0.9607   -0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435    1.0415   -1.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4729   -1.4863    1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2204   -2.5098   -0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7360   -2.3715   -0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8865   -0.2271   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5157    1.7913    0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8398    2.6249   -0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1666    1.7816    0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3556    2.5956    1.2403 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