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
   -1.2890    1.0661   -2.2877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9085    0.5093   -1.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3417    0.3005   -1.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6040   -0.3232   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189   -0.5635    0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1567   -1.1391    1.7286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680   -0.0472   -0.1761 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485   -0.0258    0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8352    1.1878   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1934    1.2729    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016    0.1377    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2536   -1.0770    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8988   -1.1299    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2789    0.2262    0.5558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1028    0.6006   -1.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5497   -0.6369    0.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2627    2.0769   -0.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028    2.2161   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523   -1.9627    0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4052   -2.0760    0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8063   -0.6127    0.7828 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