2-methyl-1-azabicyclo[2.2.2]octan-4-ol

C8H15NO — CID 67853596

IUPAC2-methyl-1-azabicyclo[2.2.2]octan-4-ol
SMILESCC1CC2(O)CCN1CC2
InChIInChI=1S/C8H15NO/c1-7-6-8(10)2-4-9(7)5-3-8/h7,10H,2-6H2,1H3
InChIKeyHWSQHATVDKQGIT-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.61
Rot. Bonds

About 2-methyl-1-azabicyclo[2.2.2]octan-4-ol

2-methyl-1-azabicyclo[2.2.2]octan-4-ol (PubChem CID 67853596) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-1-azabicyclo[2.2.2]octan-4-ol.

Molecular Properties

Compound Name2-methyl-1-azabicyclo[2.2.2]octan-4-ol
PubChem CID67853596
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-1-azabicyclo[2.2.2]octan-4-ol
SMILESCC1CC2(O)CCN1CC2
InChIInChI=1S/C8H15NO/c1-7-6-8(10)2-4-9(7)5-3-8/h7,10H,2-6H2,1H3
InChIKeyHWSQHATVDKQGIT-UHFFFAOYSA-N
XLogP0.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-azabicyclo[2.2.2]octan-4-ol?
The IUPAC name of 2-methyl-1-azabicyclo[2.2.2]octan-4-ol (CID 67853596) is 2-methyl-1-azabicyclo[2.2.2]octan-4-ol.
What is the SMILES notation for 2-methyl-1-azabicyclo[2.2.2]octan-4-ol?
The canonical SMILES for 2-methyl-1-azabicyclo[2.2.2]octan-4-ol is CC1CC2(O)CCN1CC2.
What is the InChIKey of 2-methyl-1-azabicyclo[2.2.2]octan-4-ol?
The InChIKey is HWSQHATVDKQGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-6-8(10)2-4-9(7)5-3-8/h7,10H,2-6H2,1H3.
What are the key properties of 2-methyl-1-azabicyclo[2.2.2]octan-4-ol?
2-methyl-1-azabicyclo[2.2.2]octan-4-ol has a molecular weight of 141.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-azabicyclo[2.2.2]octan-4-ol is sourced from PubChem (CID 67853596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).