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
    2.3507   -1.7509   -1.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7018   -0.8842   -0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0624   -0.5743   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0301    0.3981    0.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6288    0.7723    1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927    1.6663    1.7926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994   -0.0180    0.1793 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700    0.0281    0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2691    1.1574   -0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6370    1.1668   -0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3181    2.4243   -1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4146    0.0569   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7841   -1.0888    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4149   -1.0763    0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5281   -2.3365    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366   -1.0826   -0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8977    0.8338    1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2889    2.0491   -0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3755    2.2145   -1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7579    2.7458   -1.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1973    3.1827   -0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4936    0.0633   -0.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0947   -1.9879    0.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569   -2.9338    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5312   -2.1273    0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6755   -2.8988   -0.4196 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