2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one

C23H19NO2 — CID 46221134

IUPAC2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one
SMILESCC(=O)c1ccc(C2=C(c3ccccc3)N3C=CC=CC3(C)C2=O)cc1
InChIInChI=1S/C23H19NO2/c1-16(25)17-10-12-18(13-11-17)20-21(19-8-4-3-5-9-19)24-15-7-6-14-23(24,2)22(20)26/h3-15H,1-2H3
InChIKeyOECFRUGRCFVANH-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.48
Rot. Bonds3

About 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one

2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one (PubChem CID 46221134) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one.

Molecular Properties

Compound Name2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one
PubChem CID46221134
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one
SMILESCC(=O)c1ccc(C2=C(c3ccccc3)N3C=CC=CC3(C)C2=O)cc1
InChIInChI=1S/C23H19NO2/c1-16(25)17-10-12-18(13-11-17)20-21(19-8-4-3-5-9-19)24-15-7-6-14-23(24,2)22(20)26/h3-15H,1-2H3
InChIKeyOECFRUGRCFVANH-UHFFFAOYSA-N
XLogP4.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-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 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one?
The IUPAC name of 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one (CID 46221134) is 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one.
What is the SMILES notation for 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one?
The canonical SMILES for 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one is CC(=O)c1ccc(C2=C(c3ccccc3)N3C=CC=CC3(C)C2=O)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one?
The InChIKey is OECFRUGRCFVANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-16(25)17-10-12-18(13-11-17)20-21(19-8-4-3-5-9-19)24-15-7-6-14-23(24,2)22(20)26/h3-15H,1-2H3.
What are the key properties of 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one?
2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one has a molecular weight of 341.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-8a-methyl-3-phenylindolizin-1-one is sourced from PubChem (CID 46221134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).