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
    1.8399    0.0658    2.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0283   -0.0414    0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   -0.1626    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -0.2520   -1.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958   -0.1980   -1.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977   -0.2551   -2.5991 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9723   -0.0658   -0.2258 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120    0.0281    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8949    1.2139    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0349    2.3567    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2438    1.2806    0.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    0.1880    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5721   -0.9878    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090   -1.0711   -0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5901   -2.3057   -0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2441   -0.1756    0.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.3504   -2.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4480    2.4362    1.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5976    3.2746    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314    2.3848   -0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6652    2.1934    1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1383    0.2357    0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2080   -1.8535    0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1794   -3.2254   -0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -2.2636   -1.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4555   -2.4499   -0.3647 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