3-oxa-7-azabicyclo[4.1.1]octane

C6H11NO — CID 118209795

IUPAC3-oxa-7-azabicyclo[4.1.1]octane
SMILESC1CC2CC(CO1)N2
InChIInChI=1S/C6H11NO/c1-2-8-4-6-3-5(1)7-6/h5-7H,1-4H2
InChIKeyNVPQTGJOXGIUIO-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.14
Rot. Bonds

About 3-oxa-7-azabicyclo[4.1.1]octane

3-oxa-7-azabicyclo[4.1.1]octane (PubChem CID 118209795) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-oxa-7-azabicyclo[4.1.1]octane.

Molecular Properties

Compound Name3-oxa-7-azabicyclo[4.1.1]octane
PubChem CID118209795
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-oxa-7-azabicyclo[4.1.1]octane
SMILESC1CC2CC(CO1)N2
InChIInChI=1S/C6H11NO/c1-2-8-4-6-3-5(1)7-6/h5-7H,1-4H2
InChIKeyNVPQTGJOXGIUIO-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-7-azabicyclo[4.1.1]octane?
The IUPAC name of 3-oxa-7-azabicyclo[4.1.1]octane (CID 118209795) is 3-oxa-7-azabicyclo[4.1.1]octane.
What is the SMILES notation for 3-oxa-7-azabicyclo[4.1.1]octane?
The canonical SMILES for 3-oxa-7-azabicyclo[4.1.1]octane is C1CC2CC(CO1)N2.
What is the InChIKey of 3-oxa-7-azabicyclo[4.1.1]octane?
The InChIKey is NVPQTGJOXGIUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-8-4-6-3-5(1)7-6/h5-7H,1-4H2.
What are the key properties of 3-oxa-7-azabicyclo[4.1.1]octane?
3-oxa-7-azabicyclo[4.1.1]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 3-oxa-7-azabicyclo[4.1.1]octane is sourced from PubChem (CID 118209795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).