(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one

C14H11NO3S — CID 15212297

IUPAC(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(C)o1
InChIInChI=1S/C14H11NO3S/c1-7-5-10-11(6-9-4-3-8(2)17-9)18-14(16)12(10)13(19)15-7/h3-6H,1-2H3,(H,15,19)/b11-6-
InChIKeyUCKLIUAJVINKBS-WDZFZDKYSA-N
MW273.31 g/mol
LogP3.62
Rot. Bonds1

About (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one

(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (PubChem CID 15212297) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
PubChem CID15212297
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(C)o1
InChIInChI=1S/C14H11NO3S/c1-7-5-10-11(6-9-4-3-8(2)17-9)18-14(16)12(10)13(19)15-7/h3-6H,1-2H3,(H,15,19)/b11-6-
InChIKeyUCKLIUAJVINKBS-WDZFZDKYSA-N
XLogP3.62
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The IUPAC name of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (CID 15212297) is (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one is Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(C)o1.
What is the InChIKey of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The InChIKey is UCKLIUAJVINKBS-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-7-5-10-11(6-9-4-3-8(2)17-9)18-14(16)12(10)13(19)15-7/h3-6H,1-2H3,(H,15,19)/b11-6-.
What are the key properties of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one has a molecular weight of 273.31 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 15212297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).