2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol

C11H19NO — CID 115016022

IUPAC2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C2CCN(CC2)C1C1CCC1
InChIInChI=1S/C11H19NO/c13-11-9-4-6-12(7-5-9)10(11)8-2-1-3-8/h8-11,13H,1-7H2
InChIKeyAKOUWNGHDBIFJW-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.24
Rot. Bonds1

About 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol

2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 115016022) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID115016022
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C2CCN(CC2)C1C1CCC1
InChIInChI=1S/C11H19NO/c13-11-9-4-6-12(7-5-9)10(11)8-2-1-3-8/h8-11,13H,1-7H2
InChIKeyAKOUWNGHDBIFJW-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-azatricyclo[5.4.1.04,12]dodecane
CID 45098480
ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol
CID 168995573
(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol
CID 13378917
2-cyclopropyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 115020272
methyl (3aS,7S,7aR)-7-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 124706416
1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-ol
CID 66744341
(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol
CID 143167608
(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11252155
(2R,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 153057468
(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188056
(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol
CID 7082197
2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 115034186

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol (CID 115016022) is 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol is OC1C2CCN(CC2)C1C1CCC1.
What is the InChIKey of 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is AKOUWNGHDBIFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-9-4-6-12(7-5-9)10(11)8-2-1-3-8/h8-11,13H,1-7H2.
What are the key properties of 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol?
2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 115016022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).