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
    4.1292    0.1017    0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7501   -0.1965   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439   -1.1367   -0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143   -1.1544   -1.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3986   -1.9224   -2.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4047   -0.1303   -0.4731 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990    0.4489    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3858    1.3901    1.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9643    0.2315   -0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5562    0.9060   -1.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793    1.2570   -1.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6537    0.9504   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0662    0.2810    0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182   -0.0685    0.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0902   -0.7958    1.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7154   -0.8183    0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5666    0.9803   -0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0048    0.3345    1.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1913   -1.7975   -1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9187    1.1260   -2.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3539    1.7801   -2.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7105    1.2555   -0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6383    0.0352    1.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086   -1.6285    2.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1403   -1.2717    1.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054   -0.1580    2.6883 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