3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane

C11H20N2O — CID 116680208

IUPAC3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC(CN1CC2CCC(C1)O2)C1CNC1
InChIInChI=1S/C11H20N2O/c1-2-11-8-13(7-10(1)14-11)4-3-9-5-12-6-9/h9-12H,1-8H2
InChIKeyMNBKGEDZPQCNKE-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.46
Rot. Bonds3

About 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 116680208) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID116680208
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC(CN1CC2CCC(C1)O2)C1CNC1
InChIInChI=1S/C11H20N2O/c1-2-11-8-13(7-10(1)14-11)4-3-9-5-12-6-9/h9-12H,1-8H2
InChIKeyMNBKGEDZPQCNKE-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 116680208) is 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane is C(CN1CC2CCC(C1)O2)C1CNC1.
What is the InChIKey of 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is MNBKGEDZPQCNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-11-8-13(7-10(1)14-11)4-3-9-5-12-6-9/h9-12H,1-8H2.
What are the key properties of 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 196.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-3-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 116680208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).