3-(2-phenylindolizin-3-yl)propanoate

C17H14NO2- — CID 4608346

IUPAC3-(2-phenylindolizin-3-yl)propanoate
SMILESO=C([O-])CCc1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C17H15NO2/c19-17(20)10-9-16-15(13-6-2-1-3-7-13)12-14-8-4-5-11-18(14)16/h1-8,11-12H,9-10H2,(H,19,20)/p-1
InChIKeyDBKYPINCUSWWAT-UHFFFAOYSA-M
MW264.30 g/mol
LogP2.29
Rot. Bonds4

About 3-(2-phenylindolizin-3-yl)propanoate

3-(2-phenylindolizin-3-yl)propanoate (PubChem CID 4608346) has the molecular formula C17H14NO2- and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(2-phenylindolizin-3-yl)propanoate.

Molecular Properties

Compound Name3-(2-phenylindolizin-3-yl)propanoate
PubChem CID4608346
Molecular FormulaC17H14NO2-
Molecular Weight264.30 g/mol
Exact Mass264.10
IUPAC Name3-(2-phenylindolizin-3-yl)propanoate
SMILESO=C([O-])CCc1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C17H15NO2/c19-17(20)10-9-16-15(13-6-2-1-3-7-13)12-14-8-4-5-11-18(14)16/h1-8,11-12H,9-10H2,(H,19,20)/p-1
InChIKeyDBKYPINCUSWWAT-UHFFFAOYSA-M
XLogP2.29
TPSA44.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-phenylindolizin-3-yl)propanoate 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 3-(2-phenylindolizin-3-yl)propanoate?
The IUPAC name of 3-(2-phenylindolizin-3-yl)propanoate (CID 4608346) is 3-(2-phenylindolizin-3-yl)propanoate.
What is the SMILES notation for 3-(2-phenylindolizin-3-yl)propanoate?
The canonical SMILES for 3-(2-phenylindolizin-3-yl)propanoate is O=C([O-])CCc1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 3-(2-phenylindolizin-3-yl)propanoate?
The InChIKey is DBKYPINCUSWWAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15NO2/c19-17(20)10-9-16-15(13-6-2-1-3-7-13)12-14-8-4-5-11-18(14)16/h1-8,11-12H,9-10H2,(H,19,20)/p-1.
What are the key properties of 3-(2-phenylindolizin-3-yl)propanoate?
3-(2-phenylindolizin-3-yl)propanoate has a molecular weight of 264.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylindolizin-3-yl)propanoate is sourced from PubChem (CID 4608346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).