3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

C17H17NO3 — CID 135365413

IUPAC3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESCN1C(=O)C(Cc2ccccc2)COC12C=CC(=O)C=C2
InChIInChI=1S/C17H17NO3/c1-18-16(20)14(11-13-5-3-2-4-6-13)12-21-17(18)9-7-15(19)8-10-17/h2-10,14H,11-12H2,1H3
InChIKeyHATFCADLUXQAAL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.73
Rot. Bonds2

About 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (PubChem CID 135365413) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.

Molecular Properties

Compound Name3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
PubChem CID135365413
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESCN1C(=O)C(Cc2ccccc2)COC12C=CC(=O)C=C2
InChIInChI=1S/C17H17NO3/c1-18-16(20)14(11-13-5-3-2-4-6-13)12-21-17(18)9-7-15(19)8-10-17/h2-10,14H,11-12H2,1H3
InChIKeyHATFCADLUXQAAL-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione 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 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The IUPAC name of 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (CID 135365413) is 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.
What is the SMILES notation for 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The canonical SMILES for 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is CN1C(=O)C(Cc2ccccc2)COC12C=CC(=O)C=C2.
What is the InChIKey of 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The InChIKey is HATFCADLUXQAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18-16(20)14(11-13-5-3-2-4-6-13)12-21-17(18)9-7-15(19)8-10-17/h2-10,14H,11-12H2,1H3.
What are the key properties of 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione has a molecular weight of 283.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is sourced from PubChem (CID 135365413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).