2-oxa-5-azabicyclo[5.1.1]nonane

C7H13NO — CID 118209751

IUPAC2-oxa-5-azabicyclo[5.1.1]nonane
SMILESC1COC2CC(CN1)C2
InChIInChI=1S/C7H13NO/c1-2-9-7-3-6(4-7)5-8-1/h6-8H,1-5H2
InChIKeyVOYLWFQAZZBLRA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.38
Rot. Bonds

About 2-oxa-5-azabicyclo[5.1.1]nonane

2-oxa-5-azabicyclo[5.1.1]nonane (PubChem CID 118209751) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-oxa-5-azabicyclo[5.1.1]nonane.

Molecular Properties

Compound Name2-oxa-5-azabicyclo[5.1.1]nonane
PubChem CID118209751
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-oxa-5-azabicyclo[5.1.1]nonane
SMILESC1COC2CC(CN1)C2
InChIInChI=1S/C7H13NO/c1-2-9-7-3-6(4-7)5-8-1/h6-8H,1-5H2
InChIKeyVOYLWFQAZZBLRA-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-azabicyclo[5.1.1]nonane?
The IUPAC name of 2-oxa-5-azabicyclo[5.1.1]nonane (CID 118209751) is 2-oxa-5-azabicyclo[5.1.1]nonane.
What is the SMILES notation for 2-oxa-5-azabicyclo[5.1.1]nonane?
The canonical SMILES for 2-oxa-5-azabicyclo[5.1.1]nonane is C1COC2CC(CN1)C2.
What is the InChIKey of 2-oxa-5-azabicyclo[5.1.1]nonane?
The InChIKey is VOYLWFQAZZBLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-9-7-3-6(4-7)5-8-1/h6-8H,1-5H2.
What are the key properties of 2-oxa-5-azabicyclo[5.1.1]nonane?
2-oxa-5-azabicyclo[5.1.1]nonane has a molecular weight of 127.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azabicyclo[5.1.1]nonane is sourced from PubChem (CID 118209751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).