(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol

C8H15NO — CID 11051756

IUPAC(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
SMILESO[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C8H15NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeyIATZHJGSCGLJSL-YUMQZZPRSA-N
MW141.21 g/mol
LogP0.61
Rot. Bonds

About (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol

(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol (PubChem CID 11051756) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol.

Molecular Properties

Compound Name(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
PubChem CID11051756
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
SMILESO[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C8H15NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeyIATZHJGSCGLJSL-YUMQZZPRSA-N
XLogP0.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The IUPAC name of (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol (CID 11051756) is (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol.
What is the SMILES notation for (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The canonical SMILES for (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol is O[C@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The InChIKey is IATZHJGSCGLJSL-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7-8,10H,1-6H2/t7-,8-/m0/s1.
What are the key properties of (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol is sourced from PubChem (CID 11051756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).