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
   -4.0229   -0.4492    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5364   -0.3853    0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8408   -1.5756    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4705   -1.5037    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -0.3028   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5222    0.8615   -0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8922    0.8262   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262    2.1773   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6133   -0.2970   -0.1832 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4475   -1.0739   -1.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894   -1.8806   -1.9163 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8420   -0.7591   -0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9095    0.1372    0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5306    0.4627    0.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2637    1.2823    1.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4040    0.5721    0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4400   -0.9111   -0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2760   -1.0237    1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3238   -2.5340    0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1281   -2.4092    0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932    1.7319   -0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024    2.7221    0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085    2.1376   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5312    2.7902   -1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951   -1.1744   -1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010    0.5784    0.5861 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