8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one

C14H15NO2 — CID 134853029

IUPAC8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESO=C1C(c2ccccc2)=CC2(O)CCCCN12
InChIInChI=1S/C14H15NO2/c16-13-12(11-6-2-1-3-7-11)10-14(17)8-4-5-9-15(13)14/h1-3,6-7,10,17H,4-5,8-9H2
InChIKeyYACFJVNGOUBTPK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.78
Rot. Bonds1

About 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one

8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one (PubChem CID 134853029) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one
PubChem CID134853029
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESO=C1C(c2ccccc2)=CC2(O)CCCCN12
InChIInChI=1S/C14H15NO2/c16-13-12(11-6-2-1-3-7-11)10-14(17)8-4-5-9-15(13)14/h1-3,6-7,10,17H,4-5,8-9H2
InChIKeyYACFJVNGOUBTPK-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one?
The IUPAC name of 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one (CID 134853029) is 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one.
What is the SMILES notation for 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one?
The canonical SMILES for 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one is O=C1C(c2ccccc2)=CC2(O)CCCCN12.
What is the InChIKey of 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one?
The InChIKey is YACFJVNGOUBTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-13-12(11-6-2-1-3-7-11)10-14(17)8-4-5-9-15(13)14/h1-3,6-7,10,17H,4-5,8-9H2.
What are the key properties of 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one?
8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one has a molecular weight of 229.28 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-2-phenyl-5,6,7,8-tetrahydroindolizin-3-one is sourced from PubChem (CID 134853029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).