(1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol

C8H16NO+ — CID 51534493

IUPAC(1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol
SMILESO[C@H]1CC[NH+]2CCCC[C@@H]12
InChIInChI=1S/C8H15NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7-8,10H,1-6H2/p+1/t7-,8-/m0/s1
InChIKeyIATZHJGSCGLJSL-YUMQZZPRSA-O
MW142.22 g/mol
LogP-0.81
Rot. Bonds

About (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol

(1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol (PubChem CID 51534493) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol.

Molecular Properties

Compound Name(1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol
PubChem CID51534493
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol
SMILESO[C@H]1CC[NH+]2CCCC[C@@H]12
InChIInChI=1S/C8H15NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7-8,10H,1-6H2/p+1/t7-,8-/m0/s1
InChIKeyIATZHJGSCGLJSL-YUMQZZPRSA-O
XLogP-0.81
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol?
The IUPAC name of (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol (CID 51534493) is (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol.
What is the SMILES notation for (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol?
The canonical SMILES for (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol is O[C@H]1CC[NH+]2CCCC[C@@H]12.
What is the InChIKey of (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol?
The InChIKey is IATZHJGSCGLJSL-YUMQZZPRSA-O. The full InChI is InChI=1S/C8H15NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7-8,10H,1-6H2/p+1/t7-,8-/m0/s1.
What are the key properties of (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol?
(1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol has a molecular weight of 142.22 g/mol, XLogP of -0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-1-ol is sourced from PubChem (CID 51534493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).