2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol

C13H24NO+ — CID 3148890

IUPAC2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol
SMILESC[N+]1(C2CCC3CCC2C3O)CCCC1
InChIInChI=1S/C13H24NO/c1-14(8-2-3-9-14)12-7-5-10-4-6-11(12)13(10)15/h10-13,15H,2-9H2,1H3/q+1
InChIKeyWFYRTMMCIGPRMC-UHFFFAOYSA-N
MW210.34 g/mol
LogP1.78
Rot. Bonds1

About 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol

2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol (PubChem CID 3148890) has the molecular formula C13H24NO+ and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol
PubChem CID3148890
Molecular FormulaC13H24NO+
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Name2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol
SMILESC[N+]1(C2CCC3CCC2C3O)CCCC1
InChIInChI=1S/C13H24NO/c1-14(8-2-3-9-14)12-7-5-10-4-6-11(12)13(10)15/h10-13,15H,2-9H2,1H3/q+1
InChIKeyWFYRTMMCIGPRMC-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 12004735
CID 12004735
CID 12004722
CID 12004722
CID 659331
CID 659331
CID 573513
CID 573513
CID 573545
CID 573545
CID 423265
CID 423265
CID 2866974
CID 2866974
CID 2866975
CID 2866975
CID 2909605
CID 2909605
CID 3691662
CID 3691662
CID 3148891
CID 3148891
CID 2832762
CID 2832762

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol?
The IUPAC name of 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol (CID 3148890) is 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol is C[N+]1(C2CCC3CCC2C3O)CCCC1.
What is the InChIKey of 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol?
The InChIKey is WFYRTMMCIGPRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO/c1-14(8-2-3-9-14)12-7-5-10-4-6-11(12)13(10)15/h10-13,15H,2-9H2,1H3/q+1.
What are the key properties of 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol?
2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol has a molecular weight of 210.34 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-1-ium-1-yl)bicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 3148890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).