3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane

C6H11NO — CID 13320194

IUPAC3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2OC2C1
InChIInChI=1S/C6H11NO/c1-2-7-3-5-6(4-7)8-5/h5-6H,2-4H2,1H3
InChIKeyWZDUNDJSSXEPAS-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.09
Rot. Bonds1

About 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane

3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane (PubChem CID 13320194) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane
PubChem CID13320194
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2OC2C1
InChIInChI=1S/C6H11NO/c1-2-7-3-5-6(4-7)8-5/h5-6H,2-4H2,1H3
InChIKeyWZDUNDJSSXEPAS-UHFFFAOYSA-N
XLogP0.09
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane (CID 13320194) is 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane is CCN1CC2OC2C1.
What is the InChIKey of 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The InChIKey is WZDUNDJSSXEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-7-3-5-6(4-7)8-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane has a molecular weight of 113.16 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 13320194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).