(1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one

C15H10FNO2S — CID 25155057

IUPAC(1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(F)cc1
InChIInChI=1S/C15H10FNO2S/c1-8-6-11-12(7-9-2-4-10(16)5-3-9)19-15(18)13(11)14(20)17-8/h2-7H,1H3,(H,17,20)/b12-7-
InChIKeyRNAOAKKAGKAYQB-GHXNOFRVSA-N
MW287.31 g/mol
LogP3.86
Rot. Bonds1

About (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one

(1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (PubChem CID 25155057) has the molecular formula C15H10FNO2S and a molecular weight of 287.31 g/mol. Its IUPAC name is (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name(1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
PubChem CID25155057
Molecular FormulaC15H10FNO2S
Molecular Weight287.31 g/mol
Exact Mass287.04
IUPAC Name(1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(F)cc1
InChIInChI=1S/C15H10FNO2S/c1-8-6-11-12(7-9-2-4-10(16)5-3-9)19-15(18)13(11)14(20)17-8/h2-7H,1H3,(H,17,20)/b12-7-
InChIKeyRNAOAKKAGKAYQB-GHXNOFRVSA-N
XLogP3.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_J(4)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 155516549
(1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 155567586
(1Z)-1-[(3-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 1826328
(1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 5398431
(Z)-1-(4-Chlorobenzylidene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 25155058
(Z)-6-Methyl-1-(4-methylbenzylidene)-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 25155059
(Z)-6-Methyl-4-thioxo-1-(4-(trifluoromethyl)benzylidene)-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 25155060
(Z)-1-Benzylidene-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 25156419
(Z)-6-Methyl-1-(4-(methylthio)benzylidene)-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 25156420
(Z)-1-(Biphenyl-4-ylmethylene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 25156421
1-(3-Fluoro-benzylidene)-6-methyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 1826327
(1E)-1-(4-fluorobenzylidene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
CID 6323747

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The IUPAC name of (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (CID 25155057) is (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one is Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(F)cc1.
What is the InChIKey of (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The InChIKey is RNAOAKKAGKAYQB-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H10FNO2S/c1-8-6-11-12(7-9-2-4-10(16)5-3-9)19-15(18)13(11)14(20)17-8/h2-7H,1H3,(H,17,20)/b12-7-.
What are the key properties of (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
(1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one has a molecular weight of 287.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 25155057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).