5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one

C14H23NO2 — CID 132524818

IUPAC5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one
SMILESCCCCCCC1CCCC2(O)C=CC(=O)N12
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-7-12-8-6-10-14(17)11-9-13(16)15(12)14/h9,11-12,17H,2-8,10H2,1H3
InChIKeyDJFOCERIVGFXTO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds5

About 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one

5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one (PubChem CID 132524818) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one
PubChem CID132524818
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one
SMILESCCCCCCC1CCCC2(O)C=CC(=O)N12
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-7-12-8-6-10-14(17)11-9-13(16)15(12)14/h9,11-12,17H,2-8,10H2,1H3
InChIKeyDJFOCERIVGFXTO-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8a-Hydroxy-5,6,7,8-tetrahydroindolizin-3-one
CID 132524813
8a-Hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one
CID 132524819

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one?
The IUPAC name of 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one (CID 132524818) is 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one.
What is the SMILES notation for 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one?
The canonical SMILES for 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one is CCCCCCC1CCCC2(O)C=CC(=O)N12.
What is the InChIKey of 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one?
The InChIKey is DJFOCERIVGFXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-5-7-12-8-6-10-14(17)11-9-13(16)15(12)14/h9,11-12,17H,2-8,10H2,1H3.
What are the key properties of 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one?
5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one has a molecular weight of 237.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one is sourced from PubChem (CID 132524818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).