(1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane

C6H11NO — CID 176890089

IUPAC(1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane
SMILESC1C[C@@H]2C[C@@H](CO2)N1
InChIInChI=1S/C6H11NO/c1-2-7-5-3-6(1)8-4-5/h5-7H,1-4H2/t5-,6+/m0/s1
InChIKeyJLTCTKIHRFDBFU-NTSWFWBYSA-N
MW113.16 g/mol
LogP0.14
Rot. Bonds

About (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane

(1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane (PubChem CID 176890089) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane
PubChem CID176890089
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane
SMILESC1C[C@@H]2C[C@@H](CO2)N1
InChIInChI=1S/C6H11NO/c1-2-7-5-3-6(1)8-4-5/h5-7H,1-4H2/t5-,6+/m0/s1
InChIKeyJLTCTKIHRFDBFU-NTSWFWBYSA-N
XLogP0.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane (CID 176890089) is (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane is C1C[C@@H]2C[C@@H](CO2)N1.
What is the InChIKey of (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane?
The InChIKey is JLTCTKIHRFDBFU-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-7-5-3-6(1)8-4-5/h5-7H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane?
(1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane has a molecular weight of 113.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176890089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).