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
    4.0610   -0.3550   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5653   -0.3842   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090   -1.4911   -0.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4593   -1.4349   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369   -0.2686   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5112    0.8238    0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084    0.7700    0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0907    2.1025    0.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6538   -0.2880    0.0475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5588   -0.1792    1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2233   -0.0179    2.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9510   -0.2851    0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8877   -0.4490   -0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910   -0.4602   -1.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0755   -0.5955   -2.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503    0.2585    0.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4155    0.0647   -1.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4874   -1.3787   -0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454   -2.3787   -0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1773   -2.3087   -0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    1.6671    0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865    2.4555    1.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1343    2.0304    0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0817    2.8976   -0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8510   -0.2385    1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7311   -0.5567   -1.3450 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