2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol

C10H19NO — CID 130941698

IUPAC2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
SMILESOCC[C@@H]1CCC[C@@H]2CCCN21
InChIInChI=1S/C10H19NO/c12-8-6-10-4-1-3-9-5-2-7-11(9)10/h9-10,12H,1-8H2/t9-,10+/m1/s1
InChIKeySKIJVPZQYIYSRE-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.39
Rot. Bonds2

About 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol

2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol (PubChem CID 130941698) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol.

Molecular Properties

Compound Name2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
PubChem CID130941698
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
SMILESOCC[C@@H]1CCC[C@@H]2CCCN21
InChIInChI=1S/C10H19NO/c12-8-6-10-4-1-3-9-5-2-7-11(9)10/h9-10,12H,1-8H2/t9-,10+/m1/s1
InChIKeySKIJVPZQYIYSRE-ZJUUUORDSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol?
The IUPAC name of 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol (CID 130941698) is 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol.
What is the SMILES notation for 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol?
The canonical SMILES for 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol is OCC[C@@H]1CCC[C@@H]2CCCN21.
What is the InChIKey of 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol?
The InChIKey is SKIJVPZQYIYSRE-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c12-8-6-10-4-1-3-9-5-2-7-11(9)10/h9-10,12H,1-8H2/t9-,10+/m1/s1.
What are the key properties of 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol?
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol is sourced from PubChem (CID 130941698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).