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
    1.6458   -0.4601    2.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093    0.0528    0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2115    0.5218    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954    1.0032   -0.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6971    0.8692   -1.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    1.2111   -2.2596 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758    0.2711   -0.0806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3982   -0.0739    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552    0.8791    0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9784    2.2939    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933    0.5314    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355   -0.7976    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -1.7683   -0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550   -1.3850   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -2.3831   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0965    0.4657    1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279    1.4210   -1.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231    2.9615   -0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2232    2.5776    1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0994    2.4531    0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4785    1.2623    0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0811   -1.1158    0.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3411   -2.8024   -0.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -2.6155    0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -2.0341   -1.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1425   -3.3388   -0.8909 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