3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione

C15H11NO3 — CID 176508886

IUPAC3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione
SMILESC#Cc1ccc2c(C3CCC(=O)NC3=O)coc2c1
InChIInChI=1S/C15H11NO3/c1-2-9-3-4-10-12(8-19-13(10)7-9)11-5-6-14(17)16-15(11)18/h1,3-4,7-8,11H,5-6H2,(H,16,17,18)
InChIKeyVHIZKUNJJFHQIG-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.93
Rot. Bonds1

About 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione

3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione (PubChem CID 176508886) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione
PubChem CID176508886
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione
SMILESC#Cc1ccc2c(C3CCC(=O)NC3=O)coc2c1
InChIInChI=1S/C15H11NO3/c1-2-9-3-4-10-12(8-19-13(10)7-9)11-5-6-14(17)16-15(11)18/h1,3-4,7-8,11H,5-6H2,(H,16,17,18)
InChIKeyVHIZKUNJJFHQIG-UHFFFAOYSA-N
XLogP1.93
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508907
3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride
CID 170904716
3-(5-ethynyl-7-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508906
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
(3R)-3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione
CID 158104093
3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione
CID 157308807
3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
CID 170181374
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159163611
(3S)-3-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 161047791
buta-1,3-diene;3-(4,5-dimethylfuran-3-yl)piperidine-2,6-dione;ethane
CID 177240487
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione (CID 176508886) is 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione is C#Cc1ccc2c(C3CCC(=O)NC3=O)coc2c1.
What is the InChIKey of 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione?
The InChIKey is VHIZKUNJJFHQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-2-9-3-4-10-12(8-19-13(10)7-9)11-5-6-14(17)16-15(11)18/h1,3-4,7-8,11H,5-6H2,(H,16,17,18).
What are the key properties of 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione?
3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione has a molecular weight of 253.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 176508886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).