(5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one

C15H20N2O2 — CID 95557656

IUPAC(5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CC[C@@]2(CCCO2)CCN1Cc1ccccn1
InChIInChI=1S/C15H20N2O2/c18-14-5-7-15(6-3-11-19-15)8-10-17(14)12-13-4-1-2-9-16-13/h1-2,4,9H,3,5-8,10-12H2/t15-/m0/s1
InChIKeyFSAFDCGSOFDETC-HNNXBMFYSA-N
MW260.34 g/mol
LogP2.14
Rot. Bonds2

About (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one

(5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 95557656) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name(5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID95557656
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CC[C@@]2(CCCO2)CCN1Cc1ccccn1
InChIInChI=1S/C15H20N2O2/c18-14-5-7-15(6-3-11-19-15)8-10-17(14)12-13-4-1-2-9-16-13/h1-2,4,9H,3,5-8,10-12H2/t15-/m0/s1
InChIKeyFSAFDCGSOFDETC-HNNXBMFYSA-N
XLogP2.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 95557656) is (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one is O=C1CC[C@@]2(CCCO2)CCN1Cc1ccccn1.
What is the InChIKey of (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is FSAFDCGSOFDETC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-5-7-15(6-3-11-19-15)8-10-17(14)12-13-4-1-2-9-16-13/h1-2,4,9H,3,5-8,10-12H2/t15-/m0/s1.
What are the key properties of (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
(5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 260.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 95557656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).