Monomers

1-(3,5-Dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3,5-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(13)15/h3-7H,1-2H3
InchI Key
PECLZIRCLUPWGS-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1cc(C)cc(c1)C
Canonical SMILES
CC1=CC(=CC(=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=CC(=C1)N2C(=O)C=CC2=O)C
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
    2.6351    1.7302   -0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8193    0.6719   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0967    0.0734    0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962   -1.0488    0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419   -1.2412    0.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8787   -2.2018    1.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958   -0.1635    0.1550 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864   -0.0091    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4509   -1.1145   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8131   -1.0091   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937   -2.1989   -0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655    0.2441   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784    1.3674   -0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2186    1.2262   -0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1265    2.7395   -0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0815    0.4580   -0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6649   -1.7081    1.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273   -2.1061    0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8652   -2.5159    0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1654   -3.0868   -0.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6332   -2.0194   -0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4431    0.4081   -0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402    2.1089   -0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2307    2.7571   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    3.2640   -1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7145    3.3744    0.5347 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
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
  9 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
 14 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