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
    4.0096   -0.5567   -1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7806   -0.1659   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7162    0.1952    1.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3227    0.4882    1.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    0.8620    2.4343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5076    0.2894    0.1681 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393   -0.1266   -0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.4094   -2.0385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9010    0.4688    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4008    1.7203   -0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7323    1.9857   -0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6555    0.9579   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774   -0.3061    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -0.5463    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3518   -1.9144    0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0677    0.0382   -1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9076   -1.6137   -1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840   -0.3374   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5721    0.2475    1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929    2.5386   -0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100    2.9645   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7221    1.1154   -0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8628   -1.1075    0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784   -1.8832    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970   -2.5208   -0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -2.3836    1.2833 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