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
    4.0637   -0.2445   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797   -0.2360   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9607   -1.3197   -0.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892   -1.3732   -0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643   -0.3213   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4334    0.7707    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8139    0.7942    0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3087    1.9095    0.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.3267   -0.2401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4461   -0.5875    0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -0.8530    2.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8404   -0.5011    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8502   -0.2052   -0.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -0.0852   -1.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0562    0.1825   -2.4933 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4146   -1.2286    0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4337   -0.2196   -1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4882    0.5598    0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5486   -2.1318   -1.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -2.2176   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    1.6259    0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879    2.1934    1.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3787    1.7263    1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302    2.8095    0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7366   -0.6475    1.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7232   -0.0735   -1.5071 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