3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one

C14H9NO2 — CID 71342669

IUPAC3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1=Cc1ccccn1
InChIInChI=1S/C14H9NO2/c16-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)17-14/h1-9H
InChIKeyUELLLTXPCPNRNZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.54
Rot. Bonds1

About 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one

3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one (PubChem CID 71342669) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one
PubChem CID71342669
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1=Cc1ccccn1
InChIInChI=1S/C14H9NO2/c16-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)17-14/h1-9H
InChIKeyUELLLTXPCPNRNZ-UHFFFAOYSA-N
XLogP2.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one?
The IUPAC name of 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one (CID 71342669) is 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one.
What is the SMILES notation for 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one?
The canonical SMILES for 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one is O=C1Oc2ccccc2C1=Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one?
The InChIKey is UELLLTXPCPNRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)17-14/h1-9H.
What are the key properties of 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one?
3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one has a molecular weight of 223.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethylidene)-1-benzofuran-2-one is sourced from PubChem (CID 71342669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).