4-oxa-1-azabicyclo[4.2.2]decane

C8H15NO — CID 118209761

IUPAC4-oxa-1-azabicyclo[4.2.2]decane
SMILESC1CN2CCC(CC2)CO1
InChIInChI=1S/C8H15NO/c1-3-9-4-2-8(1)7-10-6-5-9/h8H,1-7H2
InChIKeyYKORXVWJVUJWAG-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.73
Rot. Bonds

About 4-oxa-1-azabicyclo[4.2.2]decane

4-oxa-1-azabicyclo[4.2.2]decane (PubChem CID 118209761) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-oxa-1-azabicyclo[4.2.2]decane.

Molecular Properties

Compound Name4-oxa-1-azabicyclo[4.2.2]decane
PubChem CID118209761
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-oxa-1-azabicyclo[4.2.2]decane
SMILESC1CN2CCC(CC2)CO1
InChIInChI=1S/C8H15NO/c1-3-9-4-2-8(1)7-10-6-5-9/h8H,1-7H2
InChIKeyYKORXVWJVUJWAG-UHFFFAOYSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxa-1-azabicyclo[4.2.2]decane?
The IUPAC name of 4-oxa-1-azabicyclo[4.2.2]decane (CID 118209761) is 4-oxa-1-azabicyclo[4.2.2]decane.
What is the SMILES notation for 4-oxa-1-azabicyclo[4.2.2]decane?
The canonical SMILES for 4-oxa-1-azabicyclo[4.2.2]decane is C1CN2CCC(CC2)CO1.
What is the InChIKey of 4-oxa-1-azabicyclo[4.2.2]decane?
The InChIKey is YKORXVWJVUJWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-9-4-2-8(1)7-10-6-5-9/h8H,1-7H2.
What are the key properties of 4-oxa-1-azabicyclo[4.2.2]decane?
4-oxa-1-azabicyclo[4.2.2]decane has a molecular weight of 141.21 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1-azabicyclo[4.2.2]decane is sourced from PubChem (CID 118209761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).