6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one

C17H19NO2 — CID 54691170

IUPAC6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one
SMILESCC1(C)Cc2cc(O)c(Cc3ccccc3)c(=O)n2C1
InChIInChI=1S/C17H19NO2/c1-17(2)10-13-9-15(19)14(16(20)18(13)11-17)8-12-6-4-3-5-7-12/h3-7,9,19H,8,10-11H2,1-2H3
InChIKeyMUGJPGYUTOKMRH-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.73
Rot. Bonds2

About 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one

6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one (PubChem CID 54691170) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one.

Molecular Properties

Compound Name6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one
PubChem CID54691170
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one
SMILESCC1(C)Cc2cc(O)c(Cc3ccccc3)c(=O)n2C1
InChIInChI=1S/C17H19NO2/c1-17(2)10-13-9-15(19)14(16(20)18(13)11-17)8-12-6-4-3-5-7-12/h3-7,9,19H,8,10-11H2,1-2H3
InChIKeyMUGJPGYUTOKMRH-UHFFFAOYSA-N
XLogP2.73
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-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

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one?
The IUPAC name of 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one (CID 54691170) is 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one.
What is the SMILES notation for 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one?
The canonical SMILES for 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one is CC1(C)Cc2cc(O)c(Cc3ccccc3)c(=O)n2C1.
What is the InChIKey of 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one?
The InChIKey is MUGJPGYUTOKMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2)10-13-9-15(19)14(16(20)18(13)11-17)8-12-6-4-3-5-7-12/h3-7,9,19H,8,10-11H2,1-2H3.
What are the key properties of 6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one?
6-benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one has a molecular weight of 269.34 g/mol, XLogP of 2.73, 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-2,2-dimethyl-1,3-dihydroindolizin-5-one is sourced from PubChem (CID 54691170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).