1-(1-thiophen-2-ylindolizin-3-yl)ethanone

C14H11NOS — CID 127029580

IUPAC1-(1-thiophen-2-ylindolizin-3-yl)ethanone
SMILESCC(=O)c1cc(-c2cccs2)c2ccccn12
InChIInChI=1S/C14H11NOS/c1-10(16)13-9-11(14-6-4-8-17-14)12-5-2-3-7-15(12)13/h2-9H,1H3
InChIKeyHVSSZTVSUPRWAL-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.87
Rot. Bonds2

About 1-(1-thiophen-2-ylindolizin-3-yl)ethanone

1-(1-thiophen-2-ylindolizin-3-yl)ethanone (PubChem CID 127029580) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylindolizin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-thiophen-2-ylindolizin-3-yl)ethanone
PubChem CID127029580
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name1-(1-thiophen-2-ylindolizin-3-yl)ethanone
SMILESCC(=O)c1cc(-c2cccs2)c2ccccn12
InChIInChI=1S/C14H11NOS/c1-10(16)13-9-11(14-6-4-8-17-14)12-5-2-3-7-15(12)13/h2-9H,1H3
InChIKeyHVSSZTVSUPRWAL-UHFFFAOYSA-N
XLogP3.87
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylindolizin-3-yl)ethanone?
The IUPAC name of 1-(1-thiophen-2-ylindolizin-3-yl)ethanone (CID 127029580) is 1-(1-thiophen-2-ylindolizin-3-yl)ethanone.
What is the SMILES notation for 1-(1-thiophen-2-ylindolizin-3-yl)ethanone?
The canonical SMILES for 1-(1-thiophen-2-ylindolizin-3-yl)ethanone is CC(=O)c1cc(-c2cccs2)c2ccccn12.
What is the InChIKey of 1-(1-thiophen-2-ylindolizin-3-yl)ethanone?
The InChIKey is HVSSZTVSUPRWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-10(16)13-9-11(14-6-4-8-17-14)12-5-2-3-7-15(12)13/h2-9H,1H3.
What are the key properties of 1-(1-thiophen-2-ylindolizin-3-yl)ethanone?
1-(1-thiophen-2-ylindolizin-3-yl)ethanone has a molecular weight of 241.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylindolizin-3-yl)ethanone is sourced from PubChem (CID 127029580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).