1-hydroxy-3-oxoindene-2-diazonium

C9H5N2O2+ — CID 4174837

IUPAC1-hydroxy-3-oxoindene-2-diazonium
SMILESN#[N+]C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C9H4N2O2/c10-11-7-8(12)5-3-1-2-4-6(5)9(7)13/h1-4H/p+1
InChIKeyIUHHODLEEGNQCK-UHFFFAOYSA-O
MW173.15 g/mol
LogP1.96
Rot. Bonds

About 1-hydroxy-3-oxoindene-2-diazonium

1-hydroxy-3-oxoindene-2-diazonium (PubChem CID 4174837) has the molecular formula C9H5N2O2+ and a molecular weight of 173.15 g/mol. Its IUPAC name is 1-hydroxy-3-oxoindene-2-diazonium.

Molecular Properties

Compound Name1-hydroxy-3-oxoindene-2-diazonium
PubChem CID4174837
Molecular FormulaC9H5N2O2+
Molecular Weight173.15 g/mol
Exact Mass173.03
IUPAC Name1-hydroxy-3-oxoindene-2-diazonium
SMILESN#[N+]C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C9H4N2O2/c10-11-7-8(12)5-3-1-2-4-6(5)9(7)13/h1-4H/p+1
InChIKeyIUHHODLEEGNQCK-UHFFFAOYSA-O
XLogP1.96
TPSA65.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-oxoindene-2-diazonium?
The IUPAC name of 1-hydroxy-3-oxoindene-2-diazonium (CID 4174837) is 1-hydroxy-3-oxoindene-2-diazonium.
What is the SMILES notation for 1-hydroxy-3-oxoindene-2-diazonium?
The canonical SMILES for 1-hydroxy-3-oxoindene-2-diazonium is N#[N+]C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 1-hydroxy-3-oxoindene-2-diazonium?
The InChIKey is IUHHODLEEGNQCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H4N2O2/c10-11-7-8(12)5-3-1-2-4-6(5)9(7)13/h1-4H/p+1.
What are the key properties of 1-hydroxy-3-oxoindene-2-diazonium?
1-hydroxy-3-oxoindene-2-diazonium has a molecular weight of 173.15 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-oxoindene-2-diazonium is sourced from PubChem (CID 4174837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).