(3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride

C7H14ClNO — CID 139074634

IUPAC(3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride
SMILESO[C@H]1C[NH+]2CCC1CC2.[Cl-]
InChIInChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H/t7-;/m0./s1
InChIKeyOYEJRVVBERZWPD-FJXQXJEOSA-N
MW163.65 g/mol
LogP-4.34
Rot. Bonds

About (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride

(3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride (PubChem CID 139074634) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride.

Molecular Properties

Compound Name(3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride
PubChem CID139074634
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride
SMILESO[C@H]1C[NH+]2CCC1CC2.[Cl-]
InChIInChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H/t7-;/m0./s1
InChIKeyOYEJRVVBERZWPD-FJXQXJEOSA-N
XLogP-4.34
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 5-4.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride?
The IUPAC name of (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride (CID 139074634) is (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride.
What is the SMILES notation for (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride?
The canonical SMILES for (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride is O[C@H]1C[NH+]2CCC1CC2.[Cl-].
What is the InChIKey of (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride?
The InChIKey is OYEJRVVBERZWPD-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H/t7-;/m0./s1.
What are the key properties of (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride?
(3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride has a molecular weight of 163.65 g/mol, XLogP of -4.34, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-azoniabicyclo[2.2.2]octan-3-ol chloride is sourced from PubChem (CID 139074634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).