8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one

C16H19NO2 — CID 11128964

IUPAC8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one
SMILESCc1ccc(C2=CC3(O)CCCC(C)N3C2=O)cc1
InChIInChI=1S/C16H19NO2/c1-11-5-7-13(8-6-11)14-10-16(19)9-3-4-12(2)17(16)15(14)18/h5-8,10,12,19H,3-4,9H2,1-2H3
InChIKeyDYZJVGGFEOGPEG-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.48
Rot. Bonds1

About 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one

8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one (PubChem CID 11128964) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one
PubChem CID11128964
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one
SMILESCc1ccc(C2=CC3(O)CCCC(C)N3C2=O)cc1
InChIInChI=1S/C16H19NO2/c1-11-5-7-13(8-6-11)14-10-16(19)9-3-4-12(2)17(16)15(14)18/h5-8,10,12,19H,3-4,9H2,1-2H3
InChIKeyDYZJVGGFEOGPEG-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one?
The IUPAC name of 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one (CID 11128964) is 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one.
What is the SMILES notation for 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one?
The canonical SMILES for 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one is Cc1ccc(C2=CC3(O)CCCC(C)N3C2=O)cc1.
What is the InChIKey of 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one?
The InChIKey is DYZJVGGFEOGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-5-7-13(8-6-11)14-10-16(19)9-3-4-12(2)17(16)15(14)18/h5-8,10,12,19H,3-4,9H2,1-2H3.
What are the key properties of 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one?
8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one has a molecular weight of 257.33 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one is sourced from PubChem (CID 11128964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).