(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol

C9H17NO — CID 84650272

IUPAC(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol
SMILESCN1CC2CCC1C(CO)C2
InChIInChI=1S/C9H17NO/c1-10-5-7-2-3-9(10)8(4-7)6-11/h7-9,11H,2-6H2,1H3
InChIKeyBMOYMDZLGPXCOZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds1

About (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol

(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol (PubChem CID 84650272) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol
PubChem CID84650272
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol
SMILESCN1CC2CCC1C(CO)C2
InChIInChI=1S/C9H17NO/c1-10-5-7-2-3-9(10)8(4-7)6-11/h7-9,11H,2-6H2,1H3
InChIKeyBMOYMDZLGPXCOZ-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol?
The IUPAC name of (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol (CID 84650272) is (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol.
What is the SMILES notation for (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol?
The canonical SMILES for (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol is CN1CC2CCC1C(CO)C2.
What is the InChIKey of (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol?
The InChIKey is BMOYMDZLGPXCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-5-7-2-3-9(10)8(4-7)6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol?
(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanol is sourced from PubChem (CID 84650272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).