3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane

C11H13NO — CID 84766951

IUPAC3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESc1ccc(N2CC3CC(C2)O3)cc1
InChIInChI=1S/C11H13NO/c1-2-4-9(5-3-1)12-7-10-6-11(8-12)13-10/h1-5,10-11H,6-8H2
InChIKeyUYXUOLJLWUIFKX-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.66
Rot. Bonds1

About 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane

3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane (PubChem CID 84766951) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane
PubChem CID84766951
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESc1ccc(N2CC3CC(C2)O3)cc1
InChIInChI=1S/C11H13NO/c1-2-4-9(5-3-1)12-7-10-6-11(8-12)13-10/h1-5,10-11H,6-8H2
InChIKeyUYXUOLJLWUIFKX-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane (CID 84766951) is 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane is c1ccc(N2CC3CC(C2)O3)cc1.
What is the InChIKey of 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane?
The InChIKey is UYXUOLJLWUIFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-9(5-3-1)12-7-10-6-11(8-12)13-10/h1-5,10-11H,6-8H2.
What are the key properties of 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane?
3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane has a molecular weight of 175.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 84766951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).