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
    2.4391   -2.2816    0.4389 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756   -1.0602    0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0210   -0.4470    0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8618    0.8440    0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.1732   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943    2.2987   -0.2133 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933   -0.0485    0.1087 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2715   -0.1207    0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4882   -0.8915    0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857   -0.8870    0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5312   -0.1065   -0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969    0.6745   -0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4164    0.6682   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0137   -0.0375   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756   -0.9665    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6267    1.6354   -0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0234   -1.5220    1.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4688   -1.5088    1.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711    1.3122   -1.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1887    1.2763   -1.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4755   -1.0328   -0.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4588    0.5256    0.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3187    0.5025   -1.0718 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