6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride

C6H12ClNO — CID 75421689

IUPAC6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1NCC2CC1CO2.Cl
InChIInChI=1S/C6H11NO.ClH/c1-5-2-7-3-6(1)8-4-5;/h5-7H,1-4H2;1H
InChIKeyADQJXEWIAFVAHZ-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.42
Rot. Bonds

About 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride

6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 75421689) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID75421689
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1NCC2CC1CO2.Cl
InChIInChI=1S/C6H11NO.ClH/c1-5-2-7-3-6(1)8-4-5;/h5-7H,1-4H2;1H
InChIKeyADQJXEWIAFVAHZ-UHFFFAOYSA-N
XLogP0.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride (CID 75421689) is 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride is C1NCC2CC1CO2.Cl.
What is the InChIKey of 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is ADQJXEWIAFVAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-5-2-7-3-6(1)8-4-5;/h5-7H,1-4H2;1H.
What are the key properties of 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 75421689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).