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

C12H22NO+ — CID 3691662

IUPAC2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol
SMILESOC1C2CCC1C([NH+]1CCCC1)CC2
InChIInChI=1S/C12H21NO/c14-12-9-3-5-10(12)11(6-4-9)13-7-1-2-8-13/h9-12,14H,1-8H2/p+1
InChIKeyLKOQOTHHSPGEKE-UHFFFAOYSA-O
MW196.31 g/mol
LogP0.21
Rot. Bonds1

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

2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol (PubChem CID 3691662) has the molecular formula C12H22NO+ and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol
PubChem CID3691662
Molecular FormulaC12H22NO+
Molecular Weight196.31 g/mol
Exact Mass196.17
IUPAC Name2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol
SMILESOC1C2CCC1C([NH+]1CCCC1)CC2
InChIInChI=1S/C12H21NO/c14-12-9-3-5-10(12)11(6-4-9)13-7-1-2-8-13/h9-12,14H,1-8H2/p+1
InChIKeyLKOQOTHHSPGEKE-UHFFFAOYSA-O
XLogP0.21
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 50.21
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[3.2.1]octan-8-ol?
The IUPAC name of 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol (CID 3691662) is 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol is OC1C2CCC1C([NH+]1CCCC1)CC2.
What is the InChIKey of 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol?
The InChIKey is LKOQOTHHSPGEKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H21NO/c14-12-9-3-5-10(12)11(6-4-9)13-7-1-2-8-13/h9-12,14H,1-8H2/p+1.
What are the key properties of 2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol?
2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol has a molecular weight of 196.31 g/mol, XLogP of 0.21, 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 is sourced from PubChem (CID 3691662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).