(3S)-1-azabicyclo[2.2.2]octan-3-ol

C7H13NO — CID 736411

IUPAC(3S)-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@@H]1CN2CCC1CC2
InChIInChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m1/s1
InChIKeyIVLICPVPXWEGCA-SSDOTTSWSA-N
MW127.19 g/mol
LogP0.07
Rot. Bonds

About (3S)-1-azabicyclo[2.2.2]octan-3-ol

(3S)-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 736411) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3S)-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(3S)-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID736411
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3S)-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@@H]1CN2CCC1CC2
InChIInChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m1/s1
InChIKeyIVLICPVPXWEGCA-SSDOTTSWSA-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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Related Compounds

(+-)-3-Quinuclidinol
CID 15381
3-Quinuclidinol, (-)-
CID 91404
2-Methylquinuclidin-3-ol
CID 107197
3-Quinuclidinol hydrochloride
CID 2723725
(R)-3-Quinuclidinol hydrochloride
CID 16216954
1,2-Dimethyl-1-azoniabicyclo[2.2.2]octan-3-ol chloride
CID 49862620
Ro 5-5172
CID 156389
trans-1,4-Dimethylpiperidin-3-ol
CID 537403
(R)-(-)-3-Hydroxyquinuclidinium chloride
CID 139074634
3-Piperidinol, 1,4-dimethyl-, trans-
CID 58697519
3-hydroxyquinuclidine N-oxide
CID 88003866
2-(1-Azoniabicyclo[2.2.2]octan-1-yl)ethanol
CID 44607547

Frequently Asked Questions

What is the IUPAC name of (3S)-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (3S)-1-azabicyclo[2.2.2]octan-3-ol (CID 736411) is (3S)-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (3S)-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (3S)-1-azabicyclo[2.2.2]octan-3-ol is O[C@@H]1CN2CCC1CC2.
What is the InChIKey of (3S)-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is IVLICPVPXWEGCA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m1/s1.
What are the key properties of (3S)-1-azabicyclo[2.2.2]octan-3-ol?
(3S)-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 (3S)-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 736411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).