6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one

C21H19NO2 — CID 54691171

IUPAC6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1c(Cc2ccccc2)c(O)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C21H19NO2/c23-20-17(14-15-8-3-1-4-9-15)21(24)22-13-7-12-18(22)19(20)16-10-5-2-6-11-16/h1-6,8-11,23H,7,12-14H2
InChIKeyIIQJCDJTZBGECC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.76
Rot. Bonds3

About 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one

6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 54691171) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID54691171
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1c(Cc2ccccc2)c(O)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C21H19NO2/c23-20-17(14-15-8-3-1-4-9-15)21(24)22-13-7-12-18(22)19(20)16-10-5-2-6-11-16/h1-6,8-11,23H,7,12-14H2
InChIKeyIIQJCDJTZBGECC-UHFFFAOYSA-N
XLogP3.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-hydroxyphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44441625
(4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione
CID 5336857
Cambridge id 5787093
CID 2868343
(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-methylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 5806028
1-Cyclohexyl-4-hydroxy-6-methyl-3-phenyl-pyridin-2-one
CID 54719915
1-Benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one
CID 72545892
7-Hydroxy-6-benzyl-1,2,3-trihydroindolizin-5-one
CID 54687028
Cambridge id 6197483
CID 2890288
1-allyl-4-benzoyl-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 5349156
1-Cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one
CID 101437573
6-[(3,4-difluorophenyl)methyl]-7-hydroxy-8-methyl-2-(2-phenylethynyl)-1H-indolizin-5-one
CID 91223753
8-acetyl-6-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indolizin-5-one
CID 60157165

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one (CID 54691171) is 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one is O=c1c(Cc2ccccc2)c(O)c(-c2ccccc2)c2n1CCC2.
What is the InChIKey of 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is IIQJCDJTZBGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-20-17(14-15-8-3-1-4-9-15)21(24)22-13-7-12-18(22)19(20)16-10-5-2-6-11-16/h1-6,8-11,23H,7,12-14H2.
What are the key properties of 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one?
6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 317.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 54691171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).