(1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane

C6H11NO — CID 95241031

IUPAC(1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane
SMILESC1NC[C@H]2C[C@@H]1CO2
InChIInChI=1S/C6H11NO/c1-5-2-7-3-6(1)8-4-5/h5-7H,1-4H2/t5-,6+/m0/s1
InChIKeyQJIFFAMGOQBKPK-NTSWFWBYSA-N
MW113.16 g/mol
LogP-0.01
Rot. Bonds

About (1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane

(1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 95241031) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane
PubChem CID95241031
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane
SMILESC1NC[C@H]2C[C@@H]1CO2
InChIInChI=1S/C6H11NO/c1-5-2-7-3-6(1)8-4-5/h5-7H,1-4H2/t5-,6+/m0/s1
InChIKeyQJIFFAMGOQBKPK-NTSWFWBYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane (CID 95241031) is (1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane is C1NC[C@H]2C[C@@H]1CO2.
What is the InChIKey of (1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is QJIFFAMGOQBKPK-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-7-3-6(1)8-4-5/h5-7H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane?
(1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 113.16 g/mol, XLogP of -0.01, 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-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 95241031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).