6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione

C14H15NO3 — CID 79320778

IUPAC6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCOC2)C(c2ccccc2)C(=O)N1
InChIInChI=1S/C14H15NO3/c16-11-8-14(6-7-18-9-14)12(13(17)15-11)10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,15,16,17)
InChIKeySCQFPFYPWCOOAK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.22
Rot. Bonds1

About 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione

6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 79320778) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione
PubChem CID79320778
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCOC2)C(c2ccccc2)C(=O)N1
InChIInChI=1S/C14H15NO3/c16-11-8-14(6-7-18-9-14)12(13(17)15-11)10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,15,16,17)
InChIKeySCQFPFYPWCOOAK-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione (CID 79320778) is 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCOC2)C(c2ccccc2)C(=O)N1.
What is the InChIKey of 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is SCQFPFYPWCOOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-11-8-14(6-7-18-9-14)12(13(17)15-11)10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,15,16,17).
What are the key properties of 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 245.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 79320778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).