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
    4.0214    0.5344    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385    0.4921    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8071    1.6140   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4404    1.5510   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    0.3600   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395   -0.7758    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980   -0.7203    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -2.0870    0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6341    0.2477   -0.0724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4928   -0.1803    0.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1328   -0.5407    2.1219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8799   -0.1238    0.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8822    0.2987   -0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4805    0.5506   -1.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1133    0.9652   -2.3008 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3835    0.9041   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3605    1.2288    0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4354   -0.4795    0.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3574    2.5534   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1246    2.4611   -0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5187   -1.5986    0.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -2.8332   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0427   -2.3894    1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591   -2.1036   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7776   -0.3841    1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7129    0.4551   -1.4481 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