1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone

C9H15NO2 — CID 130416280

IUPAC1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
SMILESCC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C9H15NO2/c1-6(11)7-2-8-4-12-5-9(3-7)10-8/h7-10H,2-5H2,1H3
InChIKeyCCBVOPFIAZDJGM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.34
Rot. Bonds1

About 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone

1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone (PubChem CID 130416280) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
PubChem CID130416280
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
SMILESCC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C9H15NO2/c1-6(11)7-2-8-4-12-5-9(3-7)10-8/h7-10H,2-5H2,1H3
InChIKeyCCBVOPFIAZDJGM-UHFFFAOYSA-N
XLogP0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one
CID 121307895
1-[(7R)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one
CID 121307896
6-Fluoro-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one
CID 171938032
5-Fluoro-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171938712
5-Fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171938713
5,5,5-Trifluoro-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171950150
Ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
CID 15639117
7-Methyl-3-oxa-9-azabicyclo[3.3.1]nonane
CID 57541053
Methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate hydrochloride
CID 91634088
Methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
CID 91634089
7-(2-Oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one
CID 121307899
(1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
CID 155758502

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The IUPAC name of 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone (CID 130416280) is 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone.
What is the SMILES notation for 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The canonical SMILES for 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone is CC(=O)C1CC2COCC(C1)N2.
What is the InChIKey of 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The InChIKey is CCBVOPFIAZDJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(11)7-2-8-4-12-5-9(3-7)10-8/h7-10H,2-5H2,1H3.
What are the key properties of 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone has a molecular weight of 169.22 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone is sourced from PubChem (CID 130416280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).