2-oxa-1-azabicyclo[4.2.0]octane

C6H11NO — CID 149252070

IUPAC2-oxa-1-azabicyclo[4.2.0]octane
SMILESC1CON2CCC2C1
InChIInChI=1S/C6H11NO/c1-2-6-3-4-7(6)8-5-1/h6H,1-5H2
InChIKeyOURVWZRXQYTBIE-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.79
Rot. Bonds

About 2-oxa-1-azabicyclo[4.2.0]octane

2-oxa-1-azabicyclo[4.2.0]octane (PubChem CID 149252070) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-oxa-1-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name2-oxa-1-azabicyclo[4.2.0]octane
PubChem CID149252070
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-oxa-1-azabicyclo[4.2.0]octane
SMILESC1CON2CCC2C1
InChIInChI=1S/C6H11NO/c1-2-6-3-4-7(6)8-5-1/h6H,1-5H2
InChIKeyOURVWZRXQYTBIE-UHFFFAOYSA-N
XLogP0.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-1-azabicyclo[4.2.0]octane?
The IUPAC name of 2-oxa-1-azabicyclo[4.2.0]octane (CID 149252070) is 2-oxa-1-azabicyclo[4.2.0]octane.
What is the SMILES notation for 2-oxa-1-azabicyclo[4.2.0]octane?
The canonical SMILES for 2-oxa-1-azabicyclo[4.2.0]octane is C1CON2CCC2C1.
What is the InChIKey of 2-oxa-1-azabicyclo[4.2.0]octane?
The InChIKey is OURVWZRXQYTBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-6-3-4-7(6)8-5-1/h6H,1-5H2.
What are the key properties of 2-oxa-1-azabicyclo[4.2.0]octane?
2-oxa-1-azabicyclo[4.2.0]octane has a molecular weight of 113.16 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-1-azabicyclo[4.2.0]octane is sourced from PubChem (CID 149252070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).