N-(furan-3-yl)hydroxylamine

C4H5NO2 — CID 57265999

IUPACN-(furan-3-yl)hydroxylamine
SMILESONc1ccoc1
InChIInChI=1S/C4H5NO2/c6-5-4-1-2-7-3-4/h1-3,5-6H
InChIKeyJTZNEDXBNVQTLX-UHFFFAOYSA-N
MW99.09 g/mol
LogP1.08
Rot. Bonds1

About N-(furan-3-yl)hydroxylamine

N-(furan-3-yl)hydroxylamine (PubChem CID 57265999) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is N-(furan-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(furan-3-yl)hydroxylamine
PubChem CID57265999
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC NameN-(furan-3-yl)hydroxylamine
SMILESONc1ccoc1
InChIInChI=1S/C4H5NO2/c6-5-4-1-2-7-3-4/h1-3,5-6H
InChIKeyJTZNEDXBNVQTLX-UHFFFAOYSA-N
XLogP1.08
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 51.08
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-(furan-3-yl)hydroxylamine?
The IUPAC name of N-(furan-3-yl)hydroxylamine (CID 57265999) is N-(furan-3-yl)hydroxylamine.
What is the SMILES notation for N-(furan-3-yl)hydroxylamine?
The canonical SMILES for N-(furan-3-yl)hydroxylamine is ONc1ccoc1.
What is the InChIKey of N-(furan-3-yl)hydroxylamine?
The InChIKey is JTZNEDXBNVQTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-5-4-1-2-7-3-4/h1-3,5-6H.
What are the key properties of N-(furan-3-yl)hydroxylamine?
N-(furan-3-yl)hydroxylamine has a molecular weight of 99.09 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-yl)hydroxylamine is sourced from PubChem (CID 57265999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).