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
    4.0902   -0.4778    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033   -0.4131    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458   -1.4661    0.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.4445    0.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -0.3505    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275    0.7079   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9140    0.6733   -0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1604    1.8862   -0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -0.2451    0.0630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5178   -0.3408    1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2108   -0.5289    2.3990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9012   -0.1824    0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847   -0.0006   -0.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5020   -0.0336   -1.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    0.1056   -2.2151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4668   -1.4487   -0.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5396    0.3130   -0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973   -0.3472    1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811   -2.3362    1.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312   -2.2816    1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5071    1.4931   -0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4263    2.7866   -0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1772    2.0328   -0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1061    1.9512   -2.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8196   -0.1989    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7697    0.1464   -1.2092 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