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
   -1.8492   -2.2574    0.4949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1176   -1.0653    0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5290   -0.6235    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4757    0.6468   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037    1.1408   -0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7135    2.3013   -0.5685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2554    0.0366   -0.0123 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1566    0.0068    0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929    1.1578    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2879    1.1480    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600   -0.0388    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518   -1.2022   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8737   -1.1638   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3389   -0.1061    0.1996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4297   -1.2179    0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3559    1.2510   -0.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3813    2.0826    0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8293    2.0819    0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150   -2.1610   -0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.0627   -0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8402    0.0450   -0.6895 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