2-(furan-2-ylmethylidene)-1H-indol-3-one

C13H9NO2 — CID 677294

IUPAC2-(furan-2-ylmethylidene)-1H-indol-3-one
SMILESO=C1C(=Cc2ccco2)Nc2ccccc21
InChIInChI=1S/C13H9NO2/c15-13-10-5-1-2-6-11(10)14-12(13)8-9-4-3-7-16-9/h1-8,14H
InChIKeyOQJBUPWGSLGLEH-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.93
Rot. Bonds1

About 2-(furan-2-ylmethylidene)-1H-indol-3-one

2-(furan-2-ylmethylidene)-1H-indol-3-one (PubChem CID 677294) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidene)-1H-indol-3-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylidene)-1H-indol-3-one
PubChem CID677294
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name2-(furan-2-ylmethylidene)-1H-indol-3-one
SMILESO=C1C(=Cc2ccco2)Nc2ccccc21
InChIInChI=1S/C13H9NO2/c15-13-10-5-1-2-6-11(10)14-12(13)8-9-4-3-7-16-9/h1-8,14H
InChIKeyOQJBUPWGSLGLEH-UHFFFAOYSA-N
XLogP2.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidene)-1H-indol-3-one?
The IUPAC name of 2-(furan-2-ylmethylidene)-1H-indol-3-one (CID 677294) is 2-(furan-2-ylmethylidene)-1H-indol-3-one.
What is the SMILES notation for 2-(furan-2-ylmethylidene)-1H-indol-3-one?
The canonical SMILES for 2-(furan-2-ylmethylidene)-1H-indol-3-one is O=C1C(=Cc2ccco2)Nc2ccccc21.
What is the InChIKey of 2-(furan-2-ylmethylidene)-1H-indol-3-one?
The InChIKey is OQJBUPWGSLGLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-13-10-5-1-2-6-11(10)14-12(13)8-9-4-3-7-16-9/h1-8,14H.
What are the key properties of 2-(furan-2-ylmethylidene)-1H-indol-3-one?
2-(furan-2-ylmethylidene)-1H-indol-3-one has a molecular weight of 211.22 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidene)-1H-indol-3-one is sourced from PubChem (CID 677294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).