6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one

C5H8N2O2 — CID 22049644

IUPAC6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one
SMILESO=C1CCCN=C1NO
InChIInChI=1S/C5H8N2O2/c8-4-2-1-3-6-5(4)7-9/h9H,1-3H2,(H,6,7)
InChIKeyJGURVISMHYWWQC-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.27
Rot. Bonds

About 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one

6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one (PubChem CID 22049644) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one
PubChem CID22049644
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one
SMILESO=C1CCCN=C1NO
InChIInChI=1S/C5H8N2O2/c8-4-2-1-3-6-5(4)7-9/h9H,1-3H2,(H,6,7)
InChIKeyJGURVISMHYWWQC-UHFFFAOYSA-N
XLogP-0.27
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
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 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one (CID 22049644) is 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one is O=C1CCCN=C1NO.
What is the InChIKey of 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one?
The InChIKey is JGURVISMHYWWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-4-2-1-3-6-5(4)7-9/h9H,1-3H2,(H,6,7).
What are the key properties of 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one?
6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one has a molecular weight of 128.13 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 22049644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).