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

C11H17NO2 — CID 132524819

IUPAC8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESCCCC1CCCC2(O)C=CC(=O)N12
InChIInChI=1S/C11H17NO2/c1-2-4-9-5-3-7-11(14)8-6-10(13)12(9)11/h6,8-9,14H,2-5,7H2,1H3
InChIKeyKSTNYDOGAZHLHN-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.43
Rot. Bonds2

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

8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one (PubChem CID 132524819) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one
PubChem CID132524819
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESCCCC1CCCC2(O)C=CC(=O)N12
InChIInChI=1S/C11H17NO2/c1-2-4-9-5-3-7-11(14)8-6-10(13)12(9)11/h6,8-9,14H,2-5,7H2,1H3
InChIKeyKSTNYDOGAZHLHN-UHFFFAOYSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8a-Hydroxy-5,6,7,8-tetrahydroindolizin-3-one
CID 132524813
5-Hexyl-8a-hydroxy-5,6,7,8-tetrahydroindolizin-3-one
CID 132524818

Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one?
The IUPAC name of 8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one (CID 132524819) is 8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one.
What is the SMILES notation for 8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one?
The canonical SMILES for 8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one is CCCC1CCCC2(O)C=CC(=O)N12.
What is the InChIKey of 8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one?
The InChIKey is KSTNYDOGAZHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-4-9-5-3-7-11(14)8-6-10(13)12(9)11/h6,8-9,14H,2-5,7H2,1H3.
What are the key properties of 8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one?
8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one has a molecular weight of 195.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-5-propyl-5,6,7,8-tetrahydroindolizin-3-one is sourced from PubChem (CID 132524819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).