3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

C16H21NO3 — CID 3872332

IUPAC3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2
InChIInChI=1S/C16H21NO3/c1-15(19)16(10-6-3-7-11-16)20-14(18)17(15)12-13-8-4-2-5-9-13/h2,4-5,8-9,19H,3,6-7,10-12H2,1H3
InChIKeyIUGBOSBIXHIIKB-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.05
Rot. Bonds2

About 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 3872332) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID3872332
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2
InChIInChI=1S/C16H21NO3/c1-15(19)16(10-6-3-7-11-16)20-14(18)17(15)12-13-8-4-2-5-9-13/h2,4-5,8-9,19H,3,6-7,10-12H2,1H3
InChIKeyIUGBOSBIXHIIKB-UHFFFAOYSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 3872332) is 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is CC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2.
What is the InChIKey of 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is IUGBOSBIXHIIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-15(19)16(10-6-3-7-11-16)20-14(18)17(15)12-13-8-4-2-5-9-13/h2,4-5,8-9,19H,3,6-7,10-12H2,1H3.
What are the key properties of 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 3872332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).