(6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol

C10H19NO2 — CID 71481121

IUPAC(6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol
SMILESCC[C@H]1CN2CCC[C@H]2[C@@H](O)[C@H]1O
InChIInChI=1S/C10H19NO2/c1-2-7-6-11-5-3-4-8(11)10(13)9(7)12/h7-10,12-13H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1
InChIKeyJGUQLZJPJUSBNG-AATLWQCWSA-N
MW185.27 g/mol
LogP0.21
Rot. Bonds1

About (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol

(6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol (PubChem CID 71481121) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol.

Molecular Properties

Compound Name(6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol
PubChem CID71481121
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol
SMILESCC[C@H]1CN2CCC[C@H]2[C@@H](O)[C@H]1O
InChIInChI=1S/C10H19NO2/c1-2-7-6-11-5-3-4-8(11)10(13)9(7)12/h7-10,12-13H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1
InChIKeyJGUQLZJPJUSBNG-AATLWQCWSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol?
The IUPAC name of (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol (CID 71481121) is (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol.
What is the SMILES notation for (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol?
The canonical SMILES for (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol is CC[C@H]1CN2CCC[C@H]2[C@@H](O)[C@H]1O.
What is the InChIKey of (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol?
The InChIKey is JGUQLZJPJUSBNG-AATLWQCWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-7-6-11-5-3-4-8(11)10(13)9(7)12/h7-10,12-13H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1.
What are the key properties of (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol?
(6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol has a molecular weight of 185.27 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8R,8aS)-6-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diol is sourced from PubChem (CID 71481121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).