9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one

C17H23NO3 — CID 67996360

IUPAC9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESCC(c1ccccc1)N1CCC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C17H23NO3/c1-13(14-5-3-2-4-6-14)18-12-11-17(21-16(18)20)9-7-15(19)8-10-17/h2-6,13,15,19H,7-12H2,1H3
InChIKeyYMIDCXIECWAECW-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.26
Rot. Bonds2

About 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one

9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one (PubChem CID 67996360) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one
PubChem CID67996360
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESCC(c1ccccc1)N1CCC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C17H23NO3/c1-13(14-5-3-2-4-6-14)18-12-11-17(21-16(18)20)9-7-15(19)8-10-17/h2-6,13,15,19H,7-12H2,1H3
InChIKeyYMIDCXIECWAECW-UHFFFAOYSA-N
XLogP3.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one?
The IUPAC name of 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one (CID 67996360) is 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one is CC(c1ccccc1)N1CCC2(CCC(O)CC2)OC1=O.
What is the InChIKey of 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one?
The InChIKey is YMIDCXIECWAECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(14-5-3-2-4-6-14)18-12-11-17(21-16(18)20)9-7-15(19)8-10-17/h2-6,13,15,19H,7-12H2,1H3.
What are the key properties of 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one?
9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one has a molecular weight of 289.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 67996360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).