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
    4.0726   -0.6390    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5769   -0.5320   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7932   -1.5582   -0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4156   -1.4853   -0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2191   -0.3297   -0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421    0.7056    0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9226    0.5986    0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213    1.9193    0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255   -0.1739   -0.1541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5478    0.0685    0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2570    0.1924    2.1125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9072    0.1530    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8452   -0.0244   -0.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4467   -0.2328   -1.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0728   -0.4290   -2.5018 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3678   -1.6174   -0.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4461   -0.5954    1.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5647    0.1417   -0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248   -2.4512   -0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -2.2988   -0.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    1.4048    0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1256    2.0779    0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4970    2.7943    0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1770    1.9929    1.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8223    0.3314    0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7007   -0.0133   -1.5842 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