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
    1.6962    1.4792   -1.5526 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075    0.7213   -0.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5086    0.4851   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.3790    0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064   -0.7434    1.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -1.5545    2.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2560   -0.0441    0.2076 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1520   -0.0851    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9029    0.9514    0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2579    0.9762    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9367   -0.0561    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2561   -1.1072   -0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8720   -1.1020   -0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3295    0.0325    0.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3949    0.9202   -0.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3819   -0.7667    1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3385    1.7643    1.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7618    1.8240    1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8401   -1.8973   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3544   -1.9368   -0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7394    0.5181   -0.6661 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