(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride

C6H12ClNO — CID 57415729

IUPAC(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1C[C@H]2COC[C@@H]1N2.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-4-8-3-5(1)7-6;/h5-7H,1-4H2;1H/t5-,6+;
InChIKeyQCOHPFLNQAVPJE-KNCHESJLSA-N
MW149.62 g/mol
LogP0.56
Rot. Bonds

About (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride

(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 57415729) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID57415729
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1C[C@H]2COC[C@@H]1N2.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-4-8-3-5(1)7-6;/h5-7H,1-4H2;1H/t5-,6+;
InChIKeyQCOHPFLNQAVPJE-KNCHESJLSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride (CID 57415729) is (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride is C1C[C@H]2COC[C@@H]1N2.Cl.
What is the InChIKey of (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is QCOHPFLNQAVPJE-KNCHESJLSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-6-4-8-3-5(1)7-6;/h5-7H,1-4H2;1H/t5-,6+;.
What are the key properties of (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride?
(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 57415729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).