4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one

C14H10N2O2 — CID 67386670

IUPAC4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one
SMILESO=C1OCc2c(/N=C/c3ccccn3)cccc21
InChIInChI=1S/C14H10N2O2/c17-14-11-5-3-6-13(12(11)9-18-14)16-8-10-4-1-2-7-15-10/h1-8H,9H2/b16-8+
InChIKeyXLFUDTRZLJQNFR-LZYBPNLTSA-N
MW238.25 g/mol
LogP2.50
Rot. Bonds2

About 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one

4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one (PubChem CID 67386670) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one
PubChem CID67386670
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one
SMILESO=C1OCc2c(/N=C/c3ccccn3)cccc21
InChIInChI=1S/C14H10N2O2/c17-14-11-5-3-6-13(12(11)9-18-14)16-8-10-4-1-2-7-15-10/h1-8H,9H2/b16-8+
InChIKeyXLFUDTRZLJQNFR-LZYBPNLTSA-N
XLogP2.50
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one?
The IUPAC name of 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one (CID 67386670) is 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one is O=C1OCc2c(/N=C/c3ccccn3)cccc21.
What is the InChIKey of 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one?
The InChIKey is XLFUDTRZLJQNFR-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14-11-5-3-6-13(12(11)9-18-14)16-8-10-4-1-2-7-15-10/h1-8H,9H2/b16-8+.
What are the key properties of 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one?
4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one has a molecular weight of 238.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 67386670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).