5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

C11H9NO2 — CID 504604

IUPAC5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
SMILESO=C1OC(c2ccccc2)=NC12CC2
InChIInChI=1S/C11H9NO2/c13-10-11(6-7-11)12-9(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyBGLLCYNAEQRVGF-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.52
Rot. Bonds1

About 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one (PubChem CID 504604) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one.

Molecular Properties

Compound Name5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
PubChem CID504604
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
SMILESO=C1OC(c2ccccc2)=NC12CC2
InChIInChI=1S/C11H9NO2/c13-10-11(6-7-11)12-9(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyBGLLCYNAEQRVGF-UHFFFAOYSA-N
XLogP1.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The IUPAC name of 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one (CID 504604) is 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one is O=C1OC(c2ccccc2)=NC12CC2.
What is the InChIKey of 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The InChIKey is BGLLCYNAEQRVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-10-11(6-7-11)12-9(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one has a molecular weight of 187.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 504604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).