N-(oxan-4-yl)hydroxylamine

C5H11NO2 — CID 82687656

IUPACN-(oxan-4-yl)hydroxylamine
SMILESONC1CCOCC1
InChIInChI=1S/C5H11NO2/c7-6-5-1-3-8-4-2-5/h5-7H,1-4H2
InChIKeyPPMSJQNDXPPCQM-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.14
Rot. Bonds1

About N-(oxan-4-yl)hydroxylamine

N-(oxan-4-yl)hydroxylamine (PubChem CID 82687656) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(oxan-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-(oxan-4-yl)hydroxylamine
PubChem CID82687656
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-(oxan-4-yl)hydroxylamine
SMILESONC1CCOCC1
InChIInChI=1S/C5H11NO2/c7-6-5-1-3-8-4-2-5/h5-7H,1-4H2
InChIKeyPPMSJQNDXPPCQM-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(oxan-4-yl)hydroxylamine?
The IUPAC name of N-(oxan-4-yl)hydroxylamine (CID 82687656) is N-(oxan-4-yl)hydroxylamine.
What is the SMILES notation for N-(oxan-4-yl)hydroxylamine?
The canonical SMILES for N-(oxan-4-yl)hydroxylamine is ONC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)hydroxylamine?
The InChIKey is PPMSJQNDXPPCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-6-5-1-3-8-4-2-5/h5-7H,1-4H2.
What are the key properties of N-(oxan-4-yl)hydroxylamine?
N-(oxan-4-yl)hydroxylamine has a molecular weight of 117.15 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)hydroxylamine is sourced from PubChem (CID 82687656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).