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

C15H10ClNO2S — CID 25155058

IUPAC(1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO2S/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-
InChIKeyAUZCJJKWRICARG-GHXNOFRVSA-N
MW303.77 g/mol
LogP4.37
Rot. Bonds1

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

(1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (PubChem CID 25155058) has the molecular formula C15H10ClNO2S and a molecular weight of 303.77 g/mol. Its IUPAC name is (1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name(1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
PubChem CID25155058
Molecular FormulaC15H10ClNO2S
Molecular Weight303.77 g/mol
Exact Mass303.01
IUPAC Name(1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO2S/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-
InChIKeyAUZCJJKWRICARG-GHXNOFRVSA-N
XLogP4.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The IUPAC name of (1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (CID 25155058) is (1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for (1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for (1Z)-1-[(4-chlorophenyl)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(Cl)cc1.
What is the InChIKey of (1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The InChIKey is AUZCJJKWRICARG-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H10ClNO2S/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-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
(1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one has a molecular weight of 303.77 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-chlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 25155058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).