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
   -4.0628   -0.2527    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5588   -0.3057    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8993   -1.5027    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5275   -1.4810    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010   -0.3178    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794    0.8695   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825    0.8873   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2652    2.1354   -0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198   -0.3704    0.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537   -0.8879   -0.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588   -1.3538   -2.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8349   -0.7400   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8716   -0.1903    0.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906    0.0712    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046    0.5807    2.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3452    0.5849    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4209    0.0316   -0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4746   -1.2356    0.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834   -2.4064    0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0288   -2.4228    0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    1.8087   -0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390    2.0384   -1.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842    2.5182    0.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4415    2.9388   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6880   -1.0389   -1.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7685    0.0411    1.2177 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