Monomers

1H-Pyrrole-2,5-dione, 1-(2,6-dimethylphenyl)-

Identifiers

IUPAC name
1-(2,6-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
InchI Key
VMDQUQBEIFMAIC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1c(C)cccc1C
Canonical SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
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
1.7328
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
    1.0211   -1.8978    1.7107 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544   -1.4019    0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515   -1.7142    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0602   -0.9886   -0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8783   -0.1503   -1.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7095    0.6714   -2.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360   -0.3983   -0.1627 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430    0.1696    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4935    1.5024    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7426    2.3232    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594    2.0520    0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8847    1.2507    0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336   -0.1014    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4746   -0.6020   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -2.0432   -0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -2.4242    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9537   -1.0118   -1.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6111    1.7827    0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985    2.7815   -0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589    3.2078    1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192    3.1077    0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8457    1.7087    0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6354   -0.6834    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2956   -2.2974   -0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9421   -2.1831   -1.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7074   -2.6600    0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
 10 18  1  0
 10 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