9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one

C16H21NO2 — CID 62713932

IUPAC9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCOc1ccccc1N1C2CCCC1CC(=O)C2
InChIInChI=1S/C16H21NO2/c1-2-19-16-9-4-3-8-15(16)17-12-6-5-7-13(17)11-14(18)10-12/h3-4,8-9,12-13H,2,5-7,10-11H2,1H3
InChIKeyUWDIGWLSCKRXBC-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.18
Rot. Bonds3

About 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62713932) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62713932
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCOc1ccccc1N1C2CCCC1CC(=O)C2
InChIInChI=1S/C16H21NO2/c1-2-19-16-9-4-3-8-15(16)17-12-6-5-7-13(17)11-14(18)10-12/h3-4,8-9,12-13H,2,5-7,10-11H2,1H3
InChIKeyUWDIGWLSCKRXBC-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 62713932) is 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one is CCOc1ccccc1N1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is UWDIGWLSCKRXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-19-16-9-4-3-8-15(16)17-12-6-5-7-13(17)11-14(18)10-12/h3-4,8-9,12-13H,2,5-7,10-11H2,1H3.
What are the key properties of 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 259.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62713932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).