(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol

C13H23NO — CID 13378917

IUPAC(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol
SMILESO[C@@H]1[C@@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2
InChIInChI=1S/C13H23NO/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14/h10-13,15H,1-9H2/t10-,11-,12+,13-/m1/s1
InChIKeyKEVUJQHBGRUWPR-FVCCEPFGSA-N
MW209.33 g/mol
LogP2.02
Rot. Bonds1

About (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol

(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol (PubChem CID 13378917) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol
PubChem CID13378917
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol
SMILESO[C@@H]1[C@@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2
InChIInChI=1S/C13H23NO/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14/h10-13,15H,1-9H2/t10-,11-,12+,13-/m1/s1
InChIKeyKEVUJQHBGRUWPR-FVCCEPFGSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol (CID 13378917) is (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol is O[C@@H]1[C@@H]2CCC[C@@H]1[C@@H](N1CCCC1)CC2.
What is the InChIKey of (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol?
The InChIKey is KEVUJQHBGRUWPR-FVCCEPFGSA-N. The full InChI is InChI=1S/C13H23NO/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14/h10-13,15H,1-9H2/t10-,11-,12+,13-/m1/s1.
What are the key properties of (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol?
(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol has a molecular weight of 209.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 13378917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).