5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane

C12H16N2O — CID 102568288

IUPAC5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane
SMILESCN1OC(c2ccccn2)CC12CCC2
InChIInChI=1S/C12H16N2O/c1-14-12(6-4-7-12)9-11(15-14)10-5-2-3-8-13-10/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKeyJJSPTWMCKRZJJJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.31
Rot. Bonds1

About 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane

5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane (PubChem CID 102568288) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane
PubChem CID102568288
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane
SMILESCN1OC(c2ccccn2)CC12CCC2
InChIInChI=1S/C12H16N2O/c1-14-12(6-4-7-12)9-11(15-14)10-5-2-3-8-13-10/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKeyJJSPTWMCKRZJJJ-UHFFFAOYSA-N
XLogP2.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane?
The IUPAC name of 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane (CID 102568288) is 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane is CN1OC(c2ccccn2)CC12CCC2.
What is the InChIKey of 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane?
The InChIKey is JJSPTWMCKRZJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-12(6-4-7-12)9-11(15-14)10-5-2-3-8-13-10/h2-3,5,8,11H,4,6-7,9H2,1H3.
What are the key properties of 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane?
5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane has a molecular weight of 204.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 102568288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).