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
    1.7847   -1.8204    1.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035   -0.8780    0.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5354   -0.5037    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5339    0.5238   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759    0.8602   -0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8574    1.7867   -1.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640   -0.0222    0.0358 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1629   -0.0477   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    0.5330   -1.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401    0.5329   -1.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9809   -0.0663   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.6548    0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -0.6442    0.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3927   -0.0839   -0.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4109   -0.9610    1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625    1.0139   -0.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2731    1.0088   -1.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451    0.9953   -1.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8797   -1.1308    1.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4056   -1.1063    1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9472    0.6648    0.1783 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