5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one

C14H17NO2 — CID 70845688

IUPAC5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one
SMILESO=C1COCC2(CCC2)N1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c16-13-10-17-11-14(7-4-8-14)15(13)9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeySABNNCKHZVLGMJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.97
Rot. Bonds2

About 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one

5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one (PubChem CID 70845688) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one
PubChem CID70845688
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one
SMILESO=C1COCC2(CCC2)N1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c16-13-10-17-11-14(7-4-8-14)15(13)9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeySABNNCKHZVLGMJ-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-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 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one?
The IUPAC name of 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one (CID 70845688) is 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one.
What is the SMILES notation for 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one?
The canonical SMILES for 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one is O=C1COCC2(CCC2)N1Cc1ccccc1.
What is the InChIKey of 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one?
The InChIKey is SABNNCKHZVLGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-10-17-11-14(7-4-8-14)15(13)9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2.
What are the key properties of 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one?
5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one has a molecular weight of 231.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-8-oxa-5-azaspiro[3.5]nonan-6-one is sourced from PubChem (CID 70845688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).