1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone

C16H13NO2 — CID 127026630

IUPAC1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2cccc(O)c2)c2ccccn12
InChIInChI=1S/C16H13NO2/c1-11(18)16-10-14(12-5-4-6-13(19)9-12)15-7-2-3-8-17(15)16/h2-10,19H,1H3
InChIKeyVJEUURLGGZZNAT-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.51
Rot. Bonds2

About 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone

1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone (PubChem CID 127026630) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone
PubChem CID127026630
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2cccc(O)c2)c2ccccn12
InChIInChI=1S/C16H13NO2/c1-11(18)16-10-14(12-5-4-6-13(19)9-12)15-7-2-3-8-17(15)16/h2-10,19H,1H3
InChIKeyVJEUURLGGZZNAT-UHFFFAOYSA-N
XLogP3.51
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone 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 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone (CID 127026630) is 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone is CC(=O)c1cc(-c2cccc(O)c2)c2ccccn12.
What is the InChIKey of 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone?
The InChIKey is VJEUURLGGZZNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11(18)16-10-14(12-5-4-6-13(19)9-12)15-7-2-3-8-17(15)16/h2-10,19H,1H3.
What are the key properties of 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone?
1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone has a molecular weight of 251.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydroxyphenyl)indolizin-3-yl]ethanone is sourced from PubChem (CID 127026630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).