5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione

C17H14N2O3S — CID 160849738

IUPAC5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(Cc2ccc(SC3=Nc4ccccc4C3)o2)N1
InChIInChI=1S/C17H14N2O3S/c20-14-9-15(21)18-13(14)8-11-5-6-17(22-11)23-16-7-10-3-1-2-4-12(10)19-16/h1-6,13H,7-9H2,(H,18,21)
InChIKeyFQBWTVSWTGJDMZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.66
Rot. Bonds3

About 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione

5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione (PubChem CID 160849738) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione
PubChem CID160849738
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(Cc2ccc(SC3=Nc4ccccc4C3)o2)N1
InChIInChI=1S/C17H14N2O3S/c20-14-9-15(21)18-13(14)8-11-5-6-17(22-11)23-16-7-10-3-1-2-4-12(10)19-16/h1-6,13H,7-9H2,(H,18,21)
InChIKeyFQBWTVSWTGJDMZ-UHFFFAOYSA-N
XLogP2.66
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione?
The IUPAC name of 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione (CID 160849738) is 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione?
The canonical SMILES for 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione is O=C1CC(=O)C(Cc2ccc(SC3=Nc4ccccc4C3)o2)N1.
What is the InChIKey of 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione?
The InChIKey is FQBWTVSWTGJDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-14-9-15(21)18-13(14)8-11-5-6-17(22-11)23-16-7-10-3-1-2-4-12(10)19-16/h1-6,13H,7-9H2,(H,18,21).
What are the key properties of 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione?
5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione has a molecular weight of 326.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 160849738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).