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
   -1.7916   -0.5195    1.9777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9987   -0.2557    0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3182   -0.1689    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1304    0.1242   -1.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6949    0.2361   -1.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657    0.5013   -2.5398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851   -0.0024   -0.2366 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032   -0.0203    0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0432    1.1722    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2613    2.4361    0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4091    1.2159    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1362    0.0244    0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4796   -1.1718    0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1203   -1.1969    0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571   -2.4521   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2791   -0.3046    0.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9505    0.2475   -1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    3.1756   -0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249    2.3431   -0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444    2.8333    1.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9118    2.1421    0.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1929    0.0499    0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066   -2.1099    0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1504   -2.4866   -1.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630   -2.5207    0.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520   -3.2922    0.0839 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