8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C16H16FNO3 — CID 12832694

IUPAC8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCC(=O)N1CCC2(CC1)OC(=O)C=C2c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-11(19)18-8-6-16(7-9-18)14(10-15(20)21-16)12-2-4-13(17)5-3-12/h2-5,10H,6-9H2,1H3
InChIKeyGQHMRGFRLGWSKS-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.15
Rot. Bonds1

About 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 12832694) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID12832694
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCC(=O)N1CCC2(CC1)OC(=O)C=C2c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-11(19)18-8-6-16(7-9-18)14(10-15(20)21-16)12-2-4-13(17)5-3-12/h2-5,10H,6-9H2,1H3
InChIKeyGQHMRGFRLGWSKS-UHFFFAOYSA-N
XLogP2.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 12832694) is 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CC(=O)N1CCC2(CC1)OC(=O)C=C2c1ccc(F)cc1.
What is the InChIKey of 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is GQHMRGFRLGWSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-11(19)18-8-6-16(7-9-18)14(10-15(20)21-16)12-2-4-13(17)5-3-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 289.31 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 12832694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).