(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol

C12H21NO — CID 7082197

IUPAC(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol
SMILESO[C@H]1[C@H]2CC[C@H]1[C@H](N1CCCC1)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/t9-,10-,11+,12-/m0/s1
InChIKeyLKOQOTHHSPGEKE-YFKTTZPYSA-N
MW195.31 g/mol
LogP1.63
Rot. Bonds1

About (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol

(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol (PubChem CID 7082197) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol
PubChem CID7082197
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol
SMILESO[C@H]1[C@H]2CC[C@H]1[C@H](N1CCCC1)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/t9-,10-,11+,12-/m0/s1
InChIKeyLKOQOTHHSPGEKE-YFKTTZPYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol?
The IUPAC name of (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol (CID 7082197) is (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol?
The canonical SMILES for (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol is O[C@H]1[C@H]2CC[C@H]1[C@H](N1CCCC1)CC2.
What is the InChIKey of (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol?
The InChIKey is LKOQOTHHSPGEKE-YFKTTZPYSA-N. 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/t9-,10-,11+,12-/m0/s1.
What are the key properties of (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol?
(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol has a molecular weight of 195.31 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 7082197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).