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
   -4.0652   -0.1129    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5956   -0.1588    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9688   -1.1625    0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6104   -1.1753    0.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930   -0.2517    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422    0.7429   -0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292    0.7693   -0.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.7676   -1.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5993   -0.3245    0.2440 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905    0.5997    0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444    1.6744    1.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8658    0.0863    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8177   -1.0628   -0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3924   -1.3556   -0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0342   -2.3979   -0.9279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4653   -0.2972   -0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4944   -0.9214    0.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5120    0.8242    0.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5427   -1.9062    1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0766   -1.9545    1.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    1.5694   -1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233    2.6033   -0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.3389   -1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3576    2.2010   -2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7798    0.5615    0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6710   -1.6572   -0.3403 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