8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one

C9H13NO2 — CID 71321727

IUPAC8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one
SMILESCC1CCCC2(O)C(=O)C=CN12
InChIInChI=1S/C9H13NO2/c1-7-3-2-5-9(12)8(11)4-6-10(7)9/h4,6-7,12H,2-3,5H2,1H3
InChIKeyNINIMCMBQXAIBC-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.65
Rot. Bonds

About 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one

8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one (PubChem CID 71321727) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one.

Molecular Properties

Compound Name8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one
PubChem CID71321727
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one
SMILESCC1CCCC2(O)C(=O)C=CN12
InChIInChI=1S/C9H13NO2/c1-7-3-2-5-9(12)8(11)4-6-10(7)9/h4,6-7,12H,2-3,5H2,1H3
InChIKeyNINIMCMBQXAIBC-UHFFFAOYSA-N
XLogP0.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one?
The IUPAC name of 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one (CID 71321727) is 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one.
What is the SMILES notation for 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one?
The canonical SMILES for 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one is CC1CCCC2(O)C(=O)C=CN12.
What is the InChIKey of 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one?
The InChIKey is NINIMCMBQXAIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-3-2-5-9(12)8(11)4-6-10(7)9/h4,6-7,12H,2-3,5H2,1H3.
What are the key properties of 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one?
8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one has a molecular weight of 167.21 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one is sourced from PubChem (CID 71321727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).