1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one

C11H19NO — CID 126972983

IUPAC1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2CCC1CC2
InChIInChI=1S/C11H19NO/c1-8(2)11(13)12-7-9-3-5-10(12)6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyCXARIBCYDOHWJC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds1

About 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one

1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one (PubChem CID 126972983) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one
PubChem CID126972983
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2CCC1CC2
InChIInChI=1S/C11H19NO/c1-8(2)11(13)12-7-9-3-5-10(12)6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyCXARIBCYDOHWJC-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone
CID 21357714
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003
1-(2-azabicyclo[2.2.2]octan-2-yl)-2,2-dimethylpropan-1-one
CID 20653223
methyl 2-azabicyclo[2.2.2]octane-2-carboxylate
CID 130165644
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one
CID 79012311
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
CID 54261478
(1S)-5-(2-methylpropanoyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146571829
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
CID 103515712
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one
CID 103929735
propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 116654809
butane;1-[(1R)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one
CID 168923287
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
CID 79191629

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one (CID 126972983) is 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CC2CCC1CC2.
What is the InChIKey of 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one?
The InChIKey is CXARIBCYDOHWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)11(13)12-7-9-3-5-10(12)6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one?
1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 126972983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).