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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Related Compounds

9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713932
9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713140
9-(2-butan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62714115
2-[2-(2-methoxyethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102908462
1-[2-(2-methoxyethyl)phenyl]imidazolidine-2,4-dione
CID 102908683
9-[3-(methoxymethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62714126
1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one
CID 102908344
3-(ethylamino)-1-[2-(2-methoxyethyl)phenyl]pyrrolidin-2-one
CID 102906315
1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione
CID 102908577
N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
8-(2-butan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739265
9-(4-chloro-2,5-dimethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62714291

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).