3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane

C10H17NO — CID 142298599

IUPAC3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESC1CC(N2CC3CC3C2)CCO1
InChIInChI=1S/C10H17NO/c1-3-12-4-2-10(1)11-6-8-5-9(8)7-11/h8-10H,1-7H2
InChIKeyBOOXIMZFRMXAAI-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.12
Rot. Bonds1

About 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane

3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 142298599) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID142298599
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESC1CC(N2CC3CC3C2)CCO1
InChIInChI=1S/C10H17NO/c1-3-12-4-2-10(1)11-6-8-5-9(8)7-11/h8-10H,1-7H2
InChIKeyBOOXIMZFRMXAAI-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane (CID 142298599) is 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane is C1CC(N2CC3CC3C2)CCO1.
What is the InChIKey of 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is BOOXIMZFRMXAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-12-4-2-10(1)11-6-8-5-9(8)7-11/h8-10H,1-7H2.
What are the key properties of 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 167.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142298599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).