6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one

C15H15NO2 — CID 54687028

IUPAC6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1c(Cc2ccccc2)c(O)cc2n1CCC2
InChIInChI=1S/C15H15NO2/c17-14-10-12-7-4-8-16(12)15(18)13(14)9-11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-9H2
InChIKeyORZIYCYODHTTOR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.09
Rot. Bonds2

About 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one

6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one (PubChem CID 54687028) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one
PubChem CID54687028
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1c(Cc2ccccc2)c(O)cc2n1CCC2
InChIInChI=1S/C15H15NO2/c17-14-10-12-7-4-8-16(12)15(18)13(14)9-11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-9H2
InChIKeyORZIYCYODHTTOR-UHFFFAOYSA-N
XLogP2.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one (CID 54687028) is 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one is O=c1c(Cc2ccccc2)c(O)cc2n1CCC2.
What is the InChIKey of 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is ORZIYCYODHTTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-10-12-7-4-8-16(12)15(18)13(14)9-11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-9H2.
What are the key properties of 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one?
6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 241.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-hydroxy-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 54687028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).