(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane

C12H16N2O2 — CID 124911905

IUPAC(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(OC[C@H]2CCOC23CNC3)nc1
InChIInChI=1S/C12H16N2O2/c1-2-5-14-11(3-1)15-7-10-4-6-16-12(10)8-13-9-12/h1-3,5,10,13H,4,6-9H2/t10-/m1/s1
InChIKeyVZTYTJHJMSFNOH-SNVBAGLBSA-N
MW220.27 g/mol
LogP0.84
Rot. Bonds3

About (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane

(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124911905) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124911905
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(OC[C@H]2CCOC23CNC3)nc1
InChIInChI=1S/C12H16N2O2/c1-2-5-14-11(3-1)15-7-10-4-6-16-12(10)8-13-9-12/h1-3,5,10,13H,4,6-9H2/t10-/m1/s1
InChIKeyVZTYTJHJMSFNOH-SNVBAGLBSA-N
XLogP0.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124911905) is (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is c1ccc(OC[C@H]2CCOC23CNC3)nc1.
What is the InChIKey of (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is VZTYTJHJMSFNOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-5-14-11(3-1)15-7-10-4-6-16-12(10)8-13-9-12/h1-3,5,10,13H,4,6-9H2/t10-/m1/s1.
What are the key properties of (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 220.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124911905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).