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

C9H17NO — CID 11344137

IUPAC[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
SMILESOC[C@@H]1CCC[C@@H]2CCCN21
InChIInChI=1S/C9H17NO/c11-7-9-4-1-3-8-5-2-6-10(8)9/h8-9,11H,1-7H2/t8-,9+/m1/s1
InChIKeyVFQGVQHAJBUJGM-BDAKNGLRSA-N
MW155.24 g/mol
LogP1.00
Rot. Bonds1

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

[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol (PubChem CID 11344137) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol.

Molecular Properties

Compound Name[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
PubChem CID11344137
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
SMILESOC[C@@H]1CCC[C@@H]2CCCN21
InChIInChI=1S/C9H17NO/c11-7-9-4-1-3-8-5-2-6-10(8)9/h8-9,11H,1-7H2/t8-,9+/m1/s1
InChIKeyVFQGVQHAJBUJGM-BDAKNGLRSA-N
XLogP1.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol?
The IUPAC name of [(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol (CID 11344137) is [(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol.
What is the SMILES notation for [(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol?
The canonical SMILES for [(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol is OC[C@@H]1CCC[C@@H]2CCCN21.
What is the InChIKey of [(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol?
The InChIKey is VFQGVQHAJBUJGM-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17NO/c11-7-9-4-1-3-8-5-2-6-10(8)9/h8-9,11H,1-7H2/t8-,9+/m1/s1.
What are the key properties of [(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol?
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol is sourced from PubChem (CID 11344137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).