2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one

C10H17NO — CID 21029399

IUPAC2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one
SMILESCC(C)N1CC2CCC1C(=O)C2
InChIInChI=1S/C10H17NO/c1-7(2)11-6-8-3-4-9(11)10(12)5-8/h7-9H,3-6H2,1-2H3
InChIKeySIGGXBLNQPXEPO-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds1

About 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one

2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one (PubChem CID 21029399) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one.

Molecular Properties

Compound Name2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one
PubChem CID21029399
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one
SMILESCC(C)N1CC2CCC1C(=O)C2
InChIInChI=1S/C10H17NO/c1-7(2)11-6-8-3-4-9(11)10(12)5-8/h7-9H,3-6H2,1-2H3
InChIKeySIGGXBLNQPXEPO-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-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

Tert-butyl 6-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 67234017
(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-one
CID 93514107
(2S)-2-methyl-1-azabicyclo[2.2.2]octan-3-one
CID 93514108
2-Methyl-1-azabicyclo(2.2.2)octan-3-one
CID 12381698
1-(1-Azabicyclo[2.2.2]octan-2-yl)ethan-1-one
CID 45085964
n-Butyl 3-quinuclidinone
CID 68419469
2-(3,5-Dimethylpiperidin-1-yl)cyclohexan-1-one
CID 43794282
2-(2,2-Dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one
CID 15483135
2-Acetyl-5-oxoquinuclidine
CID 129794770
2-Methyl-2-azabicyclo[2.2.2]octan-6-one
CID 12420130
6-Methyl-1-azabicyclo[2.2.2]octan-3-one
CID 14869403
(4R,6S)-6-methyl-1-azabicyclo[2.2.2]octan-3-one;hydrochloride
CID 14869404

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one?
The IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one (CID 21029399) is 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one.
What is the SMILES notation for 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one?
The canonical SMILES for 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one is CC(C)N1CC2CCC1C(=O)C2.
What is the InChIKey of 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one?
The InChIKey is SIGGXBLNQPXEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)11-6-8-3-4-9(11)10(12)5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one?
2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azabicyclo[2.2.2]octan-6-one is sourced from PubChem (CID 21029399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).