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

C18H21NO2 — CID 54691168

IUPAC6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCCCc1c(O)c(-c2ccccc2)c2n(c1=O)CCC2
InChIInChI=1S/C18H21NO2/c1-2-3-10-14-17(20)16(13-8-5-4-6-9-13)15-11-7-12-19(15)18(14)21/h4-6,8-9,20H,2-3,7,10-12H2,1H3
InChIKeyDYBAAFFLIDHDRQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.51
Rot. Bonds4

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

6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 54691168) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID54691168
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCCCc1c(O)c(-c2ccccc2)c2n(c1=O)CCC2
InChIInChI=1S/C18H21NO2/c1-2-3-10-14-17(20)16(13-8-5-4-6-9-13)15-11-7-12-19(15)18(14)21/h4-6,8-9,20H,2-3,7,10-12H2,1H3
InChIKeyDYBAAFFLIDHDRQ-UHFFFAOYSA-N
XLogP3.51
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(R)-2-((E)-3-Hydroxy-3-methyl-4-phenyl-but-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 10287121
3-Butyl-3-hydroxy-2-(4-phenylbutyl)-4,5-dihydroisoindol-1-one
CID 175418758
3-Butyl-3-hydroxy-2-(2-phenylethyl)-4,5-dihydroisoindol-1-one
CID 175418769
7-Hydroxy-6-benzyl-1,2,3-trihydroindolizin-5-one
CID 54687028
8-acetyl-6-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indolizin-5-one
CID 60157165
7-Hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one
CID 54691169
6-Benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one
CID 54691170
7-Hydroxy-6-benzyl-8-phenyl-1,2,3-trihydroindolizin-5-one
CID 54691171
7-Hydroxy-6-benzyl-8-(4-chlorophenyl)-1,2,3-trihydroindolizin-5-one
CID 54691172
7-Hydroxy-6-phenyl-1,2,3-trihydroindolizin-5-one
CID 54691173
7-Hydroxy-5-oxo-6-benzyl-1,2,3-trihydroindolizine-8-carboxylic acid
CID 54691179
5-benzyl-1-hydroxy-2-phenyl-9,10-dihydro-8H-pyrano[2,3-g]indolizine-3,6-dione
CID 54691183

Frequently Asked Questions

What is the IUPAC name of 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one (CID 54691168) is 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one is CCCCc1c(O)c(-c2ccccc2)c2n(c1=O)CCC2.
What is the InChIKey of 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is DYBAAFFLIDHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-3-10-14-17(20)16(13-8-5-4-6-9-13)15-11-7-12-19(15)18(14)21/h4-6,8-9,20H,2-3,7,10-12H2,1H3.
What are the key properties of 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one?
6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 283.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 54691168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).