1-hydroxyindol-3-ol

C8H7NO2 — CID 18669450

IUPAC1-hydroxyindol-3-ol
SMILESOc1cn(O)c2ccccc12
InChIInChI=1S/C8H7NO2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-5,10-11H
InChIKeyQULSQLNCCFSVCD-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.58
Rot. Bonds

About 1-hydroxyindol-3-ol

1-hydroxyindol-3-ol (PubChem CID 18669450) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 1-hydroxyindol-3-ol.

Molecular Properties

Compound Name1-hydroxyindol-3-ol
PubChem CID18669450
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name1-hydroxyindol-3-ol
SMILESOc1cn(O)c2ccccc12
InChIInChI=1S/C8H7NO2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-5,10-11H
InChIKeyQULSQLNCCFSVCD-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyindol-3-ol?
The IUPAC name of 1-hydroxyindol-3-ol (CID 18669450) is 1-hydroxyindol-3-ol.
What is the SMILES notation for 1-hydroxyindol-3-ol?
The canonical SMILES for 1-hydroxyindol-3-ol is Oc1cn(O)c2ccccc12.
What is the InChIKey of 1-hydroxyindol-3-ol?
The InChIKey is QULSQLNCCFSVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-5,10-11H.
What are the key properties of 1-hydroxyindol-3-ol?
1-hydroxyindol-3-ol has a molecular weight of 149.15 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyindol-3-ol is sourced from PubChem (CID 18669450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).