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
    1.7196   -0.5416   -2.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9789   -0.2756   -0.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3119   -0.1946   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1361    0.1021    0.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7296    0.2362    1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    0.5138    2.3379 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0037   -0.0115    0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032    0.0117   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0599    1.2094   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269    2.5478   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4602    1.1727   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1023   -0.0363   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276   -1.2476   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570   -1.2139   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569   -2.4767   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2688   -0.3518   -0.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208    0.2414    1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037    3.2545   -0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492    2.5789   -0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874    2.9007    0.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0211    2.1049   -0.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1976   -0.0670   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9422   -2.1964   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490   -2.2322    0.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7534   -3.2319    0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043   -2.7972   -1.0983 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