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
    1.3843   -1.2900   -2.0754 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -0.5002   -1.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838   -0.0499   -0.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033    0.7492    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8771    0.8814    0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059    1.5655    1.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963    0.0710   -0.1611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3876   -0.0710    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9223   -1.2649    0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307   -2.4337    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3091   -1.3418    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355   -0.2518    0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5509    0.9337    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926    1.0314   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    2.3065   -0.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313   -0.3291   -1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659    1.2542    0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5349   -3.1978    1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -2.9402   -0.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9615   -2.1505    1.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7390   -2.2815    0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1988   -0.3669    0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2052    1.7912   -0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728    3.0915    0.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    2.6463   -1.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4494    2.1474   -0.9938 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