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

C9H18NO+ — CID 11860233

IUPAC(1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESCC[NH+]1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C9H17NO/c1-2-10-7-3-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3/p+1/t7-,8+,9?
InChIKeyCMXKEGDSJNYTGE-JVHMLUBASA-O
MW156.25 g/mol
LogP-0.42
Rot. Bonds1

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

(1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol (PubChem CID 11860233) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is (1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol
PubChem CID11860233
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name(1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESCC[NH+]1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C9H17NO/c1-2-10-7-3-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3/p+1/t7-,8+,9?
InChIKeyCMXKEGDSJNYTGE-JVHMLUBASA-O
XLogP-0.42
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol (CID 11860233) is (1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol is CC[NH+]1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The InChIKey is CMXKEGDSJNYTGE-JVHMLUBASA-O. The full InChI is InChI=1S/C9H17NO/c1-2-10-7-3-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3/p+1/t7-,8+,9?.
What are the key properties of (1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol has a molecular weight of 156.25 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 11860233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).