2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride

C12H22ClNO — CID 2909605

IUPAC2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride
SMILESOC1C2CCC1C([NH+]1CCCC1)CC2.[Cl-]
InChIInChI=1S/C12H21NO.ClH/c14-12-9-3-5-10(12)11(6-4-9)13-7-1-2-8-13;/h9-12,14H,1-8H2;1H
InChIKeyBRDOYOSOUNXBGJ-UHFFFAOYSA-N
MW231.77 g/mol
LogP-2.78
Rot. Bonds1

About 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride

2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride (PubChem CID 2909605) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride
PubChem CID2909605
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride
SMILESOC1C2CCC1C([NH+]1CCCC1)CC2.[Cl-]
InChIInChI=1S/C12H21NO.ClH/c14-12-9-3-5-10(12)11(6-4-9)13-7-1-2-8-13;/h9-12,14H,1-8H2;1H
InChIKeyBRDOYOSOUNXBGJ-UHFFFAOYSA-N
XLogP-2.78
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 5-2.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol
CID 11861513
(1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol
CID 11872537
[(1S,2R,5R,9S)-2-pyrrolidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanyl] acetate
CID 50903395
[(1R,2S,5S,9S)-2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanyl] acetate
CID 11872182
(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol
CID 15148369
(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol
CID 7082197
(NE)-N-(2-piperidin-1-ium-1-yl-8-bicyclo[3.2.1]octanylidene)hydroxylamine chloride
CID 134064026
(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol
CID 55281900
2,5-dicyclopentylcyclopentan-1-ol
CID 12867949
(1R,2R,4R,7S)-2-chlorobicyclo[2.2.1]heptan-7-ol
CID 12670787
(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol
CID 98069750
2-cyclohexyl-5-cyclopentylcyclopentan-1-ol
CID 22937419

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride?
The IUPAC name of 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride (CID 2909605) is 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride.
What is the SMILES notation for 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride?
The canonical SMILES for 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride is OC1C2CCC1C([NH+]1CCCC1)CC2.[Cl-].
What is the InChIKey of 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride?
The InChIKey is BRDOYOSOUNXBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.ClH/c14-12-9-3-5-10(12)11(6-4-9)13-7-1-2-8-13;/h9-12,14H,1-8H2;1H.
What are the key properties of 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride?
2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride has a molecular weight of 231.77 g/mol, XLogP of -2.78, 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[3.2.1]octan-8-ol chloride is sourced from PubChem (CID 2909605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).