1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone

C15H18N2O2 — CID 134787893

IUPAC1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C15H18N2O2/c1-12(18)17-9-7-15(8-10-17)11-14(16-19-15)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyWLWJFWRAXNWMGI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds1

About 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone

1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone (PubChem CID 134787893) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone
PubChem CID134787893
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C15H18N2O2/c1-12(18)17-9-7-15(8-10-17)11-14(16-19-15)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyWLWJFWRAXNWMGI-UHFFFAOYSA-N
XLogP2.19
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone 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 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone?
The IUPAC name of 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone (CID 134787893) is 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone.
What is the SMILES notation for 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone?
The canonical SMILES for 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone is CC(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone?
The InChIKey is WLWJFWRAXNWMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12(18)17-9-7-15(8-10-17)11-14(16-19-15)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3.
What are the key properties of 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone?
1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone is sourced from PubChem (CID 134787893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).