2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one

C11H19NO2 — CID 171938878

IUPAC2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
SMILESCC(C)C(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C11H19NO2/c1-7(2)11(13)8-3-9-5-14-6-10(4-8)12-9/h7-10,12H,3-6H2,1-2H3
InChIKeyBTWOMTUQTWWVQF-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.98
Rot. Bonds2

About 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one

2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one (PubChem CID 171938878) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
PubChem CID171938878
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
SMILESCC(C)C(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C11H19NO2/c1-7(2)11(13)8-3-9-5-14-6-10(4-8)12-9/h7-10,12H,3-6H2,1-2H3
InChIKeyBTWOMTUQTWWVQF-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.98
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
6-Fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one
CID 171938033
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
5,5,5-Trifluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171950151
4,5,5-Trifluoro-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pent-4-en-1-one
CID 171950175
Ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
CID 15639117
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one (CID 171938878) is 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one is CC(C)C(=O)C1CC2COCC(C1)N2.
What is the InChIKey of 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The InChIKey is BTWOMTUQTWWVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)11(13)8-3-9-5-14-6-10(4-8)12-9/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one is sourced from PubChem (CID 171938878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).