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
    4.0909    0.6307    0.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7885    0.0863    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600   -1.1131   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471   -1.2543   -0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129   -2.2792   -1.0393 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251   -0.0339   -0.1404 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5413    0.8209    0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343    2.0005    0.8434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8629    0.2613   -0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2521    1.3785   -0.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009    1.7055   -1.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5713    0.9166   -0.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2019   -0.2035    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8683   -0.5149    0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5022   -1.7286    1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583    0.9607   -0.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.1513    1.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9434    1.5216    1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3337   -1.8591   -0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5335    2.0446   -1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    2.5955   -1.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6205    1.1913   -0.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9632   -0.8328    0.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4779   -1.7030    1.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7214   -2.5965    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1751   -1.8439    1.9216 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