2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride

C5H8ClNO2 — CID 71778990

IUPAC2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride
SMILESCl.O=C1OC2CNC1C2
InChIInChI=1S/C5H7NO2.ClH/c7-5-4-1-3(8-5)2-6-4;/h3-4,6H,1-2H2;1H
InChIKeyGBMCZIUKNIOICE-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.30
Rot. Bonds

About 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride

2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride (PubChem CID 71778990) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride.

Molecular Properties

Compound Name2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride
PubChem CID71778990
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride
SMILESCl.O=C1OC2CNC1C2
InChIInChI=1S/C5H7NO2.ClH/c7-5-4-1-3(8-5)2-6-4;/h3-4,6H,1-2H2;1H
InChIKeyGBMCZIUKNIOICE-UHFFFAOYSA-N
XLogP-0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride?
The IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride (CID 71778990) is 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride.
What is the SMILES notation for 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride?
The canonical SMILES for 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride is Cl.O=C1OC2CNC1C2.
What is the InChIKey of 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride?
The InChIKey is GBMCZIUKNIOICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.ClH/c7-5-4-1-3(8-5)2-6-4;/h3-4,6H,1-2H2;1H.
What are the key properties of 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride?
2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azabicyclo[2.2.1]heptan-3-one;hydrochloride is sourced from PubChem (CID 71778990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).