3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane

C8H13NO — CID 123275553

IUPAC3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
SMILESC1C2CN(C3COC3)CC12
InChIInChI=1S/C8H13NO/c1-6-2-9(3-7(1)6)8-4-10-5-8/h6-8H,1-5H2
InChIKeyQIJVJBQUPFBXSZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.34
Rot. Bonds1

About 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane

3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 123275553) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID123275553
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
SMILESC1C2CN(C3COC3)CC12
InChIInChI=1S/C8H13NO/c1-6-2-9(3-7(1)6)8-4-10-5-8/h6-8H,1-5H2
InChIKeyQIJVJBQUPFBXSZ-UHFFFAOYSA-N
XLogP0.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane (CID 123275553) is 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane is C1C2CN(C3COC3)CC12.
What is the InChIKey of 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is QIJVJBQUPFBXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-2-9(3-7(1)6)8-4-10-5-8/h6-8H,1-5H2.
What are the key properties of 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 139.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 123275553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).