Monomers

1-(2,4-dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2,4-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InchI Key
LWFUFCYGHRBLDH-UHFFFAOYSA-N
SMILES
Cc1ccc(c(c1)C)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=C(C=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
   -3.9721   -0.6883   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4984   -0.5478   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7107   -1.5993   -0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -1.4517   -0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468   -0.2945   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404    0.7654    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9223    0.6081    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199    2.0408    0.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568   -0.1777   -0.0456 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    0.8426   -0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962    1.8183   -1.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8198    0.5669   -0.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647   -0.5198    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5257   -1.0493    0.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2278   -2.0910    1.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2984   -1.7380   -0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3940   -0.2115    0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3979   -0.2182   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1753   -2.5188   -1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2439   -2.3111   -0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225    1.4482    0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297    2.3539    1.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942    2.8715    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0299    1.9376    1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6785    1.1760   -0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7487   -1.0123    0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers