2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride

C13H24ClNO — CID 2908099

IUPAC2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride
SMILESOC1C2CCCC1C([NH+]1CCCC1)CC2.[Cl-]
InChIInChI=1S/C13H23NO.ClH/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14;/h10-13,15H,1-9H2;1H
InChIKeyWCWSMPXAHDKRRA-UHFFFAOYSA-N
MW245.79 g/mol
LogP-2.39
Rot. Bonds1

About 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride

2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride (PubChem CID 2908099) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride
PubChem CID2908099
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride
SMILESOC1C2CCCC1C([NH+]1CCCC1)CC2.[Cl-]
InChIInChI=1S/C13H23NO.ClH/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14;/h10-13,15H,1-9H2;1H
InChIKeyWCWSMPXAHDKRRA-UHFFFAOYSA-N
XLogP-2.39
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride?
The IUPAC name of 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride (CID 2908099) is 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride.
What is the SMILES notation for 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride?
The canonical SMILES for 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride is OC1C2CCCC1C([NH+]1CCCC1)CC2.[Cl-].
What is the InChIKey of 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride?
The InChIKey is WCWSMPXAHDKRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.ClH/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14;/h10-13,15H,1-9H2;1H.
What are the key properties of 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride?
2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride has a molecular weight of 245.79 g/mol, XLogP of -2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol chloride is sourced from PubChem (CID 2908099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).