Monomers

1-(4-Methylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
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

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1467   -2.1112    0.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5474   -0.9331   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9287   -0.4908   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023    0.8189   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5197    1.3082   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1571    2.4994   -0.5217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587    0.1973   -0.1970 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2396    0.1461   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5286    1.0617    0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9228    0.9432    0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.1087   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7563   -1.0518   -0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032   -0.8905   -0.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9811   -0.3292   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8227   -1.0952   -0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7892    1.4157   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0398    1.8717    1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5470    1.6432    1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086   -1.8802   -1.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027   -1.6202   -1.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3695   -0.3914   -1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5306    0.3618    0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1265   -1.3649    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers