2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one

C12H21NO — CID 15483135

IUPAC2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one
SMILESCC(C)(C)CC1C(=O)C2CCN1CC2
InChIInChI=1S/C12H21NO/c1-12(2,3)8-10-11(14)9-4-6-13(10)7-5-9/h9-10H,4-8H2,1-3H3
InChIKeyLWRQMBTZQCIENE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one

2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 15483135) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one
PubChem CID15483135
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one
SMILESCC(C)(C)CC1C(=O)C2CCN1CC2
InChIInChI=1S/C12H21NO/c1-12(2,3)8-10-11(14)9-4-6-13(10)7-5-9/h9-10H,4-8H2,1-3H3
InChIKeyLWRQMBTZQCIENE-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one with MolForge

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Related Compounds

(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
5-Tert-butyl-1,2-dimethylpiperidin-3-one
CID 3941932
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-(4-Fluoro-3-oxopentyl)-1-azabicyclo[2.2.2]octan-3-one
CID 167638055
2-(2-Acetyl-3-oxobutyl)-3-oxoquinuclidine
CID 12758297
1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]-2,2-dimethylpropan-1-one
CID 102008576
2-Acetyl-5-oxoquinuclidine
CID 129794770
Mtobslgtgyqeod-uhfffaoysa-
CID 23265354
2-(3-Oxobutyl)-1-azabicyclo[2.2.2]octan-3-one
CID 12758303

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one (CID 15483135) is 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one is CC(C)(C)CC1C(=O)C2CCN1CC2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is LWRQMBTZQCIENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)8-10-11(14)9-4-6-13(10)7-5-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one?
2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 15483135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).