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

C14H12N2O2S — CID 25156422

IUPAC(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)N/C2=C\c1ccc(C)o1
InChIInChI=1S/C14H12N2O2S/c1-7-5-10-11(6-9-4-3-8(2)18-9)16-13(17)12(10)14(19)15-7/h3-6H,1-2H3,(H,15,19)(H,16,17)/b11-6-
InChIKeyGHIYICLMAKLSPV-WDZFZDKYSA-N
MW272.33 g/mol
LogP3.20
Rot. Bonds1

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

(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 25156422) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID25156422
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)N/C2=C\c1ccc(C)o1
InChIInChI=1S/C14H12N2O2S/c1-7-5-10-11(6-9-4-3-8(2)18-9)16-13(17)12(10)14(19)15-7/h3-6H,1-2H3,(H,15,19)(H,16,17)/b11-6-
InChIKeyGHIYICLMAKLSPV-WDZFZDKYSA-N
XLogP3.20
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one (CID 25156422) is (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one is Cc1cc2c(c(=S)[nH]1)C(=O)N/C2=C\c1ccc(C)o1.
What is the InChIKey of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is GHIYICLMAKLSPV-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-7-5-10-11(6-9-4-3-8(2)18-9)16-13(17)12(10)14(19)15-7/h3-6H,1-2H3,(H,15,19)(H,16,17)/b11-6-.
What are the key properties of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one?
(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 272.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 25156422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).