6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one

C19H15NO3 — CID 53411431

IUPAC6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCc1c(O)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O
InChIInChI=1S/C19H15NO3/c1-11-16(21)8-7-14-18(22)17(23-19(11)14)9-12-10-20(2)15-6-4-3-5-13(12)15/h3-10,21H,1-2H3
InChIKeyZXVZYOGISQVJTH-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.81
Rot. Bonds1

About 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one

6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 53411431) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID53411431
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCc1c(O)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O
InChIInChI=1S/C19H15NO3/c1-11-16(21)8-7-14-18(22)17(23-19(11)14)9-12-10-20(2)15-6-4-3-5-13(12)15/h3-10,21H,1-2H3
InChIKeyZXVZYOGISQVJTH-UHFFFAOYSA-N
XLogP3.81
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one (CID 53411431) is 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one is Cc1c(O)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O.
What is the InChIKey of 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is ZXVZYOGISQVJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-11-16(21)8-7-14-18(22)17(23-19(11)14)9-12-10-20(2)15-6-4-3-5-13(12)15/h3-10,21H,1-2H3.
What are the key properties of 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 305.33 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 53411431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).