(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride

C8H16ClNO — CID 11206105

IUPAC(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride
SMILESC[NH+]1[C@@H]2CC[C@H]1CC(O)C2.[Cl-]
InChIInChI=1S/C8H15NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h6-8,10H,2-5H2,1H3;1H/t6-,7+,8?;
InChIKeyASWRTDCDFPALAX-PAFGHYSMSA-N
MW177.67 g/mol
LogP-3.81
Rot. Bonds

About (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride

(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride (PubChem CID 11206105) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride.

Molecular Properties

Compound Name(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride
PubChem CID11206105
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride
SMILESC[NH+]1[C@@H]2CC[C@H]1CC(O)C2.[Cl-]
InChIInChI=1S/C8H15NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h6-8,10H,2-5H2,1H3;1H/t6-,7+,8?;
InChIKeyASWRTDCDFPALAX-PAFGHYSMSA-N
XLogP-3.81
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 5-3.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride?
The IUPAC name of (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride (CID 11206105) is (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride.
What is the SMILES notation for (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride?
The canonical SMILES for (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride is C[NH+]1[C@@H]2CC[C@H]1CC(O)C2.[Cl-].
What is the InChIKey of (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride?
The InChIKey is ASWRTDCDFPALAX-PAFGHYSMSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h6-8,10H,2-5H2,1H3;1H/t6-,7+,8?;.
What are the key properties of (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride?
(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride has a molecular weight of 177.67 g/mol, XLogP of -3.81, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride is sourced from PubChem (CID 11206105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).