8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride

C21H22ClNO2 — CID 45260687

IUPAC8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride
SMILESCl.O=C1C(c2ccccc2)=COC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C21H21NO2.ClH/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17;/h1-10,16H,11-15H2;1H
InChIKeyBZWPZJFKODGSDW-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.08
Rot. Bonds3

About 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride

8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride (PubChem CID 45260687) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride.

Molecular Properties

Compound Name8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride
PubChem CID45260687
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride
SMILESCl.O=C1C(c2ccccc2)=COC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C21H21NO2.ClH/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17;/h1-10,16H,11-15H2;1H
InChIKeyBZWPZJFKODGSDW-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride 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-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride?
The IUPAC name of 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride (CID 45260687) is 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride.
What is the SMILES notation for 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride?
The canonical SMILES for 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride is Cl.O=C1C(c2ccccc2)=COC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride?
The InChIKey is BZWPZJFKODGSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2.ClH/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17;/h1-10,16H,11-15H2;1H.
What are the key properties of 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride?
8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one;hydrochloride is sourced from PubChem (CID 45260687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).