1-azabicyclo[2.2.2]octan-3-ol

C7H13NO — CID 15381

IUPAC1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1CN2CCC1CC2
InChIInChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChIKeyIVLICPVPXWEGCA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.07
Rot. Bonds

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

1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 15381) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-ol
PubChem CID15381
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1CN2CCC1CC2
InChIInChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChIKeyIVLICPVPXWEGCA-UHFFFAOYSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-ol (CID 15381) is 1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-ol is OC1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is IVLICPVPXWEGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-ol?
1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 15381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).