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

C17H23NO2 — CID 102908215

IUPAC9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCOCCc1ccccc1N1C2CCCC1CC(=O)C2
InChIInChI=1S/C17H23NO2/c1-20-10-9-13-5-2-3-8-17(13)18-14-6-4-7-15(18)12-16(19)11-14/h2-3,5,8,14-15H,4,6-7,9-12H2,1H3
InChIKeyRNRQCCDJUHVGTB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.97
Rot. Bonds4

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

9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 102908215) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID102908215
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCOCCc1ccccc1N1C2CCCC1CC(=O)C2
InChIInChI=1S/C17H23NO2/c1-20-10-9-13-5-2-3-8-17(13)18-14-6-4-7-15(18)12-16(19)11-14/h2-3,5,8,14-15H,4,6-7,9-12H2,1H3
InChIKeyRNRQCCDJUHVGTB-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 102908215) is 9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one is COCCc1ccccc1N1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is RNRQCCDJUHVGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-10-9-13-5-2-3-8-17(13)18-14-6-4-7-15(18)12-16(19)11-14/h2-3,5,8,14-15H,4,6-7,9-12H2,1H3.
What are the key properties of 9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 273.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 102908215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).