(5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one

C15H15NO2 — CID 162413449

IUPAC(5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one
SMILESC=C[C@H]1COC(=O)[C@]12CCC(c1ccccc1)=N2
InChIInChI=1S/C15H15NO2/c1-2-12-10-18-14(17)15(12)9-8-13(16-15)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2/t12-,15-/m0/s1
InChIKeyVEZXCDXIUJTEKU-WFASDCNBSA-N
MW241.29 g/mol
LogP2.37
Rot. Bonds2

About (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one

(5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one (PubChem CID 162413449) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one.

Molecular Properties

Compound Name(5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one
PubChem CID162413449
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one
SMILESC=C[C@H]1COC(=O)[C@]12CCC(c1ccccc1)=N2
InChIInChI=1S/C15H15NO2/c1-2-12-10-18-14(17)15(12)9-8-13(16-15)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2/t12-,15-/m0/s1
InChIKeyVEZXCDXIUJTEKU-WFASDCNBSA-N
XLogP2.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one?
The IUPAC name of (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one (CID 162413449) is (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one.
What is the SMILES notation for (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one?
The canonical SMILES for (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one is C=C[C@H]1COC(=O)[C@]12CCC(c1ccccc1)=N2.
What is the InChIKey of (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one?
The InChIKey is VEZXCDXIUJTEKU-WFASDCNBSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-12-10-18-14(17)15(12)9-8-13(16-15)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2/t12-,15-/m0/s1.
What are the key properties of (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one?
(5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one has a molecular weight of 241.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one is sourced from PubChem (CID 162413449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).