2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane

C11H20N2O — CID 130516058

IUPAC2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane
SMILESC1CC2(CCO1)CCN(C1CNC1)C2
InChIInChI=1S/C11H20N2O/c1-4-13(10-7-12-8-10)9-11(1)2-5-14-6-3-11/h10,12H,1-9H2
InChIKeyIXCOMTNMMPGCGK-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.46
Rot. Bonds1

About 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane

2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane (PubChem CID 130516058) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane
PubChem CID130516058
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane
SMILESC1CC2(CCO1)CCN(C1CNC1)C2
InChIInChI=1S/C11H20N2O/c1-4-13(10-7-12-8-10)9-11(1)2-5-14-6-3-11/h10,12H,1-9H2
InChIKeyIXCOMTNMMPGCGK-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane (CID 130516058) is 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane is C1CC2(CCO1)CCN(C1CNC1)C2.
What is the InChIKey of 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is IXCOMTNMMPGCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-13(10-7-12-8-10)9-11(1)2-5-14-6-3-11/h10,12H,1-9H2.
What are the key properties of 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane?
2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 130516058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).