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
    4.1243   -0.2185    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7630    0.0096   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933    0.6782   -1.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0528    0.6819   -1.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4244    1.2209   -2.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422   -0.0464   -0.4439 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5100   -0.4796    0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718   -1.1721    1.4872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9224   -0.3755   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -1.6628   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135   -1.9931   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -1.0116    0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1425    0.2765    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8127    0.5816    0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3085    1.9595    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -1.1577    1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    0.5942    1.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579   -0.3798   -0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036    1.1790   -1.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693   -2.4027   -0.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0117   -3.0164   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6413   -1.2812    0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8437    1.0582    0.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2215    1.9304    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8422    2.5436    1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    2.4837   -0.5597 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