5-hydroxy-1H-indole-2,3-dione

C8H5NO3 — CID 10352011

IUPAC5-hydroxy-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(O)cc2C1=O
InChIInChI=1S/C8H5NO3/c10-4-1-2-6-5(3-4)7(11)8(12)9-6/h1-3,10H,(H,9,11,12)
InChIKeySZEUAVRUUFUMIU-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.53
Rot. Bonds

About 5-hydroxy-1H-indole-2,3-dione

5-hydroxy-1H-indole-2,3-dione (PubChem CID 10352011) has the molecular formula C8H5NO3 and a molecular weight of 163.13 g/mol. Its IUPAC name is 5-hydroxy-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-hydroxy-1H-indole-2,3-dione
PubChem CID10352011
Molecular FormulaC8H5NO3
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC Name5-hydroxy-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(O)cc2C1=O
InChIInChI=1S/C8H5NO3/c10-4-1-2-6-5(3-4)7(11)8(12)9-6/h1-3,10H,(H,9,11,12)
InChIKeySZEUAVRUUFUMIU-UHFFFAOYSA-N
XLogP0.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-Hydroxyoxindole
CID 76955
5-Methoxyisatin
CID 38333
5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione
CID 2732752
Formyl-5-hydroxykynurenamine
CID 440743
5-Benzyloxyisatin
CID 16792980
4,6-Dihydroxy-2-quinolinecarboxylic acid
CID 440752
(Z)-3-(3-hydroxybenzylidene)indolin-2-one
CID 2077962
5-[(4-fluorophenyl)methoxy]-1H-indole-2,3-dione
CID 155533066
5-methoxy-1-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 3981211
2-(5-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-ylidene)propanedinitrile
CID 5328756
5-Phenoxyisatin
CID 16787761
(3Z)-3-[2-(3,4-dihydroxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 54583320

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1H-indole-2,3-dione?
The IUPAC name of 5-hydroxy-1H-indole-2,3-dione (CID 10352011) is 5-hydroxy-1H-indole-2,3-dione.
What is the SMILES notation for 5-hydroxy-1H-indole-2,3-dione?
The canonical SMILES for 5-hydroxy-1H-indole-2,3-dione is O=C1Nc2ccc(O)cc2C1=O.
What is the InChIKey of 5-hydroxy-1H-indole-2,3-dione?
The InChIKey is SZEUAVRUUFUMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3/c10-4-1-2-6-5(3-4)7(11)8(12)9-6/h1-3,10H,(H,9,11,12).
What are the key properties of 5-hydroxy-1H-indole-2,3-dione?
5-hydroxy-1H-indole-2,3-dione has a molecular weight of 163.13 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1H-indole-2,3-dione is sourced from PubChem (CID 10352011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).