(6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol

C8H15NO — CID 10630594

IUPAC(6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
SMILESO[C@@H]1CC[C@H]2CCCN2C1
InChIInChI=1S/C8H15NO/c10-8-4-3-7-2-1-5-9(7)6-8/h7-8,10H,1-6H2/t7-,8-/m1/s1
InChIKeyIMDUSAGUOHPKQK-HTQZYQBOSA-N
MW141.21 g/mol
LogP0.61
Rot. Bonds

About (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol

(6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol (PubChem CID 10630594) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol.

Molecular Properties

Compound Name(6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
PubChem CID10630594
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
SMILESO[C@@H]1CC[C@H]2CCCN2C1
InChIInChI=1S/C8H15NO/c10-8-4-3-7-2-1-5-9(7)6-8/h7-8,10H,1-6H2/t7-,8-/m1/s1
InChIKeyIMDUSAGUOHPKQK-HTQZYQBOSA-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 (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol?
The IUPAC name of (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol (CID 10630594) is (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol.
What is the SMILES notation for (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol?
The canonical SMILES for (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol is O[C@@H]1CC[C@H]2CCCN2C1.
What is the InChIKey of (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol?
The InChIKey is IMDUSAGUOHPKQK-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO/c10-8-4-3-7-2-1-5-9(7)6-8/h7-8,10H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol?
(6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-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 (6R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol is sourced from PubChem (CID 10630594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).