N-(furan-3-yl)hydroxylamine;hydrochloride

C4H6ClNO2 — CID 86597080

IUPACN-(furan-3-yl)hydroxylamine;hydrochloride
SMILESCl.ONc1ccoc1
InChIInChI=1S/C4H5NO2.ClH/c6-5-4-1-2-7-3-4;/h1-3,5-6H;1H
InChIKeyBXXFDCLKSATHGX-UHFFFAOYSA-N
MW135.55 g/mol
LogP1.50
Rot. Bonds1

About N-(furan-3-yl)hydroxylamine;hydrochloride

N-(furan-3-yl)hydroxylamine;hydrochloride (PubChem CID 86597080) has the molecular formula C4H6ClNO2 and a molecular weight of 135.55 g/mol. Its IUPAC name is N-(furan-3-yl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-(furan-3-yl)hydroxylamine;hydrochloride
PubChem CID86597080
Molecular FormulaC4H6ClNO2
Molecular Weight135.55 g/mol
Exact Mass135.01
IUPAC NameN-(furan-3-yl)hydroxylamine;hydrochloride
SMILESCl.ONc1ccoc1
InChIInChI=1S/C4H5NO2.ClH/c6-5-4-1-2-7-3-4;/h1-3,5-6H;1H
InChIKeyBXXFDCLKSATHGX-UHFFFAOYSA-N
XLogP1.50
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 51.50
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;hydrochloride?
The IUPAC name of N-(furan-3-yl)hydroxylamine;hydrochloride (CID 86597080) is N-(furan-3-yl)hydroxylamine;hydrochloride.
What is the SMILES notation for N-(furan-3-yl)hydroxylamine;hydrochloride?
The canonical SMILES for N-(furan-3-yl)hydroxylamine;hydrochloride is Cl.ONc1ccoc1.
What is the InChIKey of N-(furan-3-yl)hydroxylamine;hydrochloride?
The InChIKey is BXXFDCLKSATHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.ClH/c6-5-4-1-2-7-3-4;/h1-3,5-6H;1H.
What are the key properties of N-(furan-3-yl)hydroxylamine;hydrochloride?
N-(furan-3-yl)hydroxylamine;hydrochloride has a molecular weight of 135.55 g/mol, XLogP of 1.50, 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;hydrochloride is sourced from PubChem (CID 86597080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).