2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride

C13H24ClNO — CID 50985678

IUPAC2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride
SMILESCl.OC1C2CCCC1C(N1CCCC1)CC2
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
LogP2.44
Rot. Bonds1

About 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride

2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride (PubChem CID 50985678) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride
PubChem CID50985678
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride
SMILESCl.OC1C2CCCC1C(N1CCCC1)CC2
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
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9-Hydroxy-bicyclo[3.3.1]non-2-yl)-1-methyl-pyrrolidinium
CID 12004735
2-(1-Methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide
CID 2832763
2-Pyrrolidin-1-yl-bicyclo[3.2.1]octan-8-ol
CID 573513
2-(Piperidin-1-YL)bicyclo[3.3.1]nonan-9-OL
CID 566968
2-Pyrrolidin-1-yl-bicyclo[3.3.1]nonan-9-ol
CID 573545
Cambridge id 6646059
CID 2908099
2-(Methylpiperidyl)bicyclo[3.3.1]nonan-9-ol
CID 2832764
4-(1-Methyl-1-pyrrolidin-1-iumyl)-9-bicyclo[3.3.1]nonanol
CID 3148891
2-Piperidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride
CID 2867519
2-Pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol;hydrochloride
CID 50985681
3-Azabicyclo[3.3.1]nonan-9-ol, 3-methyl-6-(1-pyrrolidinyl)-, (endo,syn)-
CID 558553
(1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol
CID 738470

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride (CID 50985678) is 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride is Cl.OC1C2CCCC1C(N1CCCC1)CC2.
What is the InChIKey of 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride?
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-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride?
2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol;hydrochloride is sourced from PubChem (CID 50985678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).