1-(2-phenylindolizin-3-yl)ethanone

C16H13NO — CID 3766827

IUPAC1-(2-phenylindolizin-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C16H13NO/c1-12(18)16-15(13-7-3-2-4-8-13)11-14-9-5-6-10-17(14)16/h2-11H,1H3
InChIKeyYRKQFUNEFWDJOQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.81
Rot. Bonds2

About 1-(2-phenylindolizin-3-yl)ethanone

1-(2-phenylindolizin-3-yl)ethanone (PubChem CID 3766827) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-phenylindolizin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenylindolizin-3-yl)ethanone
PubChem CID3766827
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-(2-phenylindolizin-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C16H13NO/c1-12(18)16-15(13-7-3-2-4-8-13)11-14-9-5-6-10-17(14)16/h2-11H,1H3
InChIKeyYRKQFUNEFWDJOQ-UHFFFAOYSA-N
XLogP3.81
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylindolizin-3-yl)ethanone?
The IUPAC name of 1-(2-phenylindolizin-3-yl)ethanone (CID 3766827) is 1-(2-phenylindolizin-3-yl)ethanone.
What is the SMILES notation for 1-(2-phenylindolizin-3-yl)ethanone?
The canonical SMILES for 1-(2-phenylindolizin-3-yl)ethanone is CC(=O)c1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 1-(2-phenylindolizin-3-yl)ethanone?
The InChIKey is YRKQFUNEFWDJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-12(18)16-15(13-7-3-2-4-8-13)11-14-9-5-6-10-17(14)16/h2-11H,1H3.
What are the key properties of 1-(2-phenylindolizin-3-yl)ethanone?
1-(2-phenylindolizin-3-yl)ethanone has a molecular weight of 235.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylindolizin-3-yl)ethanone is sourced from PubChem (CID 3766827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).