9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one

C16H21NO2 — CID 56865508

IUPAC9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1ccccc1
InChIInChI=1S/C16H21NO2/c18-15-7-9-16(8-4-12-19-16)10-11-17(15)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyFZDQZURDIRXJRK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds2

About 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one

9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56865508) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56865508
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1ccccc1
InChIInChI=1S/C16H21NO2/c18-15-7-9-16(8-4-12-19-16)10-11-17(15)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyFZDQZURDIRXJRK-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56865508) is 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one is O=C1CCC2(CCCO2)CCN1Cc1ccccc1.
What is the InChIKey of 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is FZDQZURDIRXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15-7-9-16(8-4-12-19-16)10-11-17(15)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2.
What are the key properties of 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 259.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56865508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).