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

C17H23NO2 — CID 62712156

IUPAC9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCOc1cccc(CN2C3CCCC2CC(=O)C3)c1
InChIInChI=1S/C17H23NO2/c1-2-20-17-8-3-5-13(9-17)12-18-14-6-4-7-15(18)11-16(19)10-14/h3,5,8-9,14-15H,2,4,6-7,10-12H2,1H3
InChIKeyUOJHHWQWODKODC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.17
Rot. Bonds4

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

9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62712156) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62712156
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCOc1cccc(CN2C3CCCC2CC(=O)C3)c1
InChIInChI=1S/C17H23NO2/c1-2-20-17-8-3-5-13(9-17)12-18-14-6-4-7-15(18)11-16(19)10-14/h3,5,8-9,14-15H,2,4,6-7,10-12H2,1H3
InChIKeyUOJHHWQWODKODC-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2838010
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CID 2838057
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CID 16190373
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CID 24792054
CID 24792054
CID 24817162
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CID 44581077
CID 44581077
CID 86294834
CID 86294834
CID 764308
CID 764308
CID 24791055
CID 24791055
CID 11959540
CID 11959540
CID 6461705
CID 6461705

Frequently Asked Questions

What is the IUPAC name of 9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 62712156) is 9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is CCOc1cccc(CN2C3CCCC2CC(=O)C3)c1.
What is the InChIKey of 9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is UOJHHWQWODKODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-20-17-8-3-5-13(9-17)12-18-14-6-4-7-15(18)11-16(19)10-14/h3,5,8-9,14-15H,2,4,6-7,10-12H2,1H3.
What are the key properties of 9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 273.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62712156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).