1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone

C17H23NO2 — CID 15441185

IUPAC1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone
SMILESCC(=O)N1CCCOC12CCC(c1ccccc1)CC2
InChIInChI=1S/C17H23NO2/c1-14(19)18-12-5-13-20-17(18)10-8-16(9-11-17)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3
InChIKeyUOVPZCVWNANBKC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.31
Rot. Bonds1

About 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone

1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone (PubChem CID 15441185) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone.

Molecular Properties

Compound Name1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone
PubChem CID15441185
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone
SMILESCC(=O)N1CCCOC12CCC(c1ccccc1)CC2
InChIInChI=1S/C17H23NO2/c1-14(19)18-12-5-13-20-17(18)10-8-16(9-11-17)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3
InChIKeyUOVPZCVWNANBKC-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone?
The IUPAC name of 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone (CID 15441185) is 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone.
What is the SMILES notation for 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone?
The canonical SMILES for 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone is CC(=O)N1CCCOC12CCC(c1ccccc1)CC2.
What is the InChIKey of 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone?
The InChIKey is UOVPZCVWNANBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14(19)18-12-5-13-20-17(18)10-8-16(9-11-17)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3.
What are the key properties of 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone?
1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone has a molecular weight of 273.38 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-phenyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)ethanone is sourced from PubChem (CID 15441185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).