8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one

C17H23NO — CID 66104403

IUPAC8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCCC1CCC2(CC1)CC(=O)NC2c1ccccc1
InChIInChI=1S/C17H23NO/c1-2-13-8-10-17(11-9-13)12-15(19)18-16(17)14-6-4-3-5-7-14/h3-7,13,16H,2,8-12H2,1H3,(H,18,19)
InChIKeyUZBIAQZFZIBBME-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.83
Rot. Bonds2

About 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one

8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one (PubChem CID 66104403) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
PubChem CID66104403
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCCC1CCC2(CC1)CC(=O)NC2c1ccccc1
InChIInChI=1S/C17H23NO/c1-2-13-8-10-17(11-9-13)12-15(19)18-16(17)14-6-4-3-5-7-14/h3-7,13,16H,2,8-12H2,1H3,(H,18,19)
InChIKeyUZBIAQZFZIBBME-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-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-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one (CID 66104403) is 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one is CCC1CCC2(CC1)CC(=O)NC2c1ccccc1.
What is the InChIKey of 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is UZBIAQZFZIBBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-13-8-10-17(11-9-13)12-15(19)18-16(17)14-6-4-3-5-7-14/h3-7,13,16H,2,8-12H2,1H3,(H,18,19).
What are the key properties of 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 257.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66104403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).