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
   -3.9673   -0.8015    0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5116   -0.5454    0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.5507    1.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947   -0.2989    1.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399   -0.0440    0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661   -0.0473   -0.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188   -0.2945   -0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0744    0.2186   -2.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310    0.2225    0.2007 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7673   -0.5974    0.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052   -1.8022    0.7447 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    0.2162    0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233    1.4402   -0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1525    1.5103   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4869    2.5418   -0.4562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2594   -1.2746   -0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1936   -1.5572    1.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5546    0.1109    0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2647   -0.7524    2.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262   -0.3009    2.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5035   -0.2847   -1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714   -0.3853   -2.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119    1.2656   -2.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1602   -0.0872   -2.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0011   -0.1422    0.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2976    2.2403   -0.4585 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