3-(hydroxyamino)-1H-quinoxalin-2-one

C8H7N3O2 — CID 11600763

IUPAC3-(hydroxyamino)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1NO
InChIInChI=1S/C8H7N3O2/c12-8-7(11-13)9-5-3-1-2-4-6(5)10-8/h1-4,13H,(H,9,11)(H,10,12)
InChIKeyPQOJIECBMCIOPW-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.72
Rot. Bonds1

About 3-(hydroxyamino)-1H-quinoxalin-2-one

3-(hydroxyamino)-1H-quinoxalin-2-one (PubChem CID 11600763) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-(hydroxyamino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(hydroxyamino)-1H-quinoxalin-2-one
PubChem CID11600763
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-(hydroxyamino)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1NO
InChIInChI=1S/C8H7N3O2/c12-8-7(11-13)9-5-3-1-2-4-6(5)10-8/h1-4,13H,(H,9,11)(H,10,12)
InChIKeyPQOJIECBMCIOPW-UHFFFAOYSA-N
XLogP0.72
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)-1H-quinoxalin-2-one?
The IUPAC name of 3-(hydroxyamino)-1H-quinoxalin-2-one (CID 11600763) is 3-(hydroxyamino)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(hydroxyamino)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(hydroxyamino)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1NO.
What is the InChIKey of 3-(hydroxyamino)-1H-quinoxalin-2-one?
The InChIKey is PQOJIECBMCIOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-8-7(11-13)9-5-3-1-2-4-6(5)10-8/h1-4,13H,(H,9,11)(H,10,12).
What are the key properties of 3-(hydroxyamino)-1H-quinoxalin-2-one?
3-(hydroxyamino)-1H-quinoxalin-2-one has a molecular weight of 177.16 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)-1H-quinoxalin-2-one is sourced from PubChem (CID 11600763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).