4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one

C14H17NO2 — CID 12832707

IUPAC4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccccc2)C2(CCNCC2)O1
InChIInChI=1S/C14H17NO2/c16-13-10-12(11-4-2-1-3-5-11)14(17-13)6-8-15-9-7-14/h1-5,12,15H,6-10H2
InChIKeyDZUMTNGJPBWIKB-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.84
Rot. Bonds1

About 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one

4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one (PubChem CID 12832707) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
PubChem CID12832707
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccccc2)C2(CCNCC2)O1
InChIInChI=1S/C14H17NO2/c16-13-10-12(11-4-2-1-3-5-11)14(17-13)6-8-15-9-7-14/h1-5,12,15H,6-10H2
InChIKeyDZUMTNGJPBWIKB-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one (CID 12832707) is 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one is O=C1CC(c2ccccc2)C2(CCNCC2)O1.
What is the InChIKey of 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is DZUMTNGJPBWIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-10-12(11-4-2-1-3-5-11)14(17-13)6-8-15-9-7-14/h1-5,12,15H,6-10H2.
What are the key properties of 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one?
4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 231.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 12832707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).