3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one

C14H15NO2 — CID 828243

IUPAC3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one
SMILESO=C1C(c2ccccc2)=NOC12CCCCC2
InChIInChI=1S/C14H15NO2/c16-13-12(11-7-3-1-4-8-11)15-17-14(13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyJSDXLOUCXMVSQJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.69
Rot. Bonds1

About 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one

3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one (PubChem CID 828243) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one
PubChem CID828243
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one
SMILESO=C1C(c2ccccc2)=NOC12CCCCC2
InChIInChI=1S/C14H15NO2/c16-13-12(11-7-3-1-4-8-11)15-17-14(13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyJSDXLOUCXMVSQJ-UHFFFAOYSA-N
XLogP2.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one (CID 828243) is 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one is O=C1C(c2ccccc2)=NOC12CCCCC2.
What is the InChIKey of 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one?
The InChIKey is JSDXLOUCXMVSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-13-12(11-7-3-1-4-8-11)15-17-14(13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one?
3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 828243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).