4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one

C10H9NO2S — CID 14742269

IUPAC4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(-c2ccco2)cc(=O)[nH]1
InChIInChI=1S/C10H9NO2S/c1-14-10-6-7(5-9(12)11-10)8-3-2-4-13-8/h2-6H,1H3,(H,11,12)
InChIKeyTUULKIDRVJDJAL-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.36
Rot. Bonds2

About 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one

4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one (PubChem CID 14742269) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one
PubChem CID14742269
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(-c2ccco2)cc(=O)[nH]1
InChIInChI=1S/C10H9NO2S/c1-14-10-6-7(5-9(12)11-10)8-3-2-4-13-8/h2-6H,1H3,(H,11,12)
InChIKeyTUULKIDRVJDJAL-UHFFFAOYSA-N
XLogP2.36
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 136692914
4-(furan-2-yl)-6-methylsulfanylpyridin-2-amine
CID 141045638
4-(furan-2-yl)-1,6-dimethylpyridin-2-one
CID 125449500
4-(furan-2-yl)-2-phenyl-1H-pyrimidin-6-one
CID 136692919
6-(furan-2-yl)-1-propylpyrimidine-2,4-dione
CID 121206638
2-(3,5-dichlorophenyl)furan
CID 11557556
2-(4-chloro-3,5-dimethylphenyl)furan
CID 168527809
ethane;2-(furan-2-yl)furan
CID 161366084
ethane;2-phenylfuran
CID 143157762
2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione
CID 168527569
3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527958
2-(4-fluoro-3-methylphenyl)furan
CID 135296198

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one (CID 14742269) is 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one is CSc1cc(-c2ccco2)cc(=O)[nH]1.
What is the InChIKey of 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one?
The InChIKey is TUULKIDRVJDJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-14-10-6-7(5-9(12)11-10)8-3-2-4-13-8/h2-6H,1H3,(H,11,12).
What are the key properties of 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one?
4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one has a molecular weight of 207.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-methylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 14742269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).