Monomers

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

Identifiers

IUPAC name
1-(4-hydroxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
InchI Key
BLLFPKZTBLMEFG-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)O
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)O
Isomeric SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H7NO3
Heavy Atom Count
14
Molecular Weight
189.17
Exact Molecular Weight
189.0426
Valence Electrons
70
Radical Electrons
0
tPSA
57.61
MolLogP
0.8216
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.5606    1.9072   -1.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0340    0.9737   -0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4446    0.6475   -0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586   -0.4127    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1847   -0.8169    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9220   -1.7758    1.2877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596    0.0478   -0.0821 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1479   -0.0017    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8782    0.4910    1.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445    0.4311    1.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9368   -0.1511    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404   -0.6577   -0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654   -0.5842   -1.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3148   -0.2051    0.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2943    1.1701   -1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4573   -0.9039    0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286    0.9442    1.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    0.8202    1.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262   -1.1141   -1.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3084   -0.9776   -1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    0.1680    0.9573 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
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers