5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane

C12H15NO — CID 12565443

IUPAC5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane
SMILESc1ccc(C23CCCN(CC2)O3)cc1
InChIInChI=1S/C12H15NO/c1-2-5-11(6-3-1)12-7-4-9-13(14-12)10-8-12/h1-3,5-6H,4,7-10H2
InChIKeyUESVHASRDOHEEK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.31
Rot. Bonds1

About 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane

5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane (PubChem CID 12565443) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane
PubChem CID12565443
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane
SMILESc1ccc(C23CCCN(CC2)O3)cc1
InChIInChI=1S/C12H15NO/c1-2-5-11(6-3-1)12-7-4-9-13(14-12)10-8-12/h1-3,5-6H,4,7-10H2
InChIKeyUESVHASRDOHEEK-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane (CID 12565443) is 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane is c1ccc(C23CCCN(CC2)O3)cc1.
What is the InChIKey of 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane?
The InChIKey is UESVHASRDOHEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-5-11(6-3-1)12-7-4-9-13(14-12)10-8-12/h1-3,5-6H,4,7-10H2.
What are the key properties of 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane?
5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane has a molecular weight of 189.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8-oxa-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 12565443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).