(3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one

C18H12FNO2 — CID 89033332

IUPAC(3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one
SMILESC=Cc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C18H12FNO2/c1-2-10-3-5-13-11(7-10)9-22-17(13)16-14-8-12(19)4-6-15(14)20-18(16)21/h2-8H,1,9H2,(H,20,21)/b17-16+
InChIKeyOOUUZWUOPSIRDB-WUKNDPDISA-N
MW293.30 g/mol
LogP3.82
Rot. Bonds1

About (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one

(3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one (PubChem CID 89033332) has the molecular formula C18H12FNO2 and a molecular weight of 293.30 g/mol. Its IUPAC name is (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one
PubChem CID89033332
Molecular FormulaC18H12FNO2
Molecular Weight293.30 g/mol
Exact Mass293.09
IUPAC Name(3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one
SMILESC=Cc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C18H12FNO2/c1-2-10-3-5-13-11(7-10)9-22-17(13)16-14-8-12(19)4-6-15(14)20-18(16)21/h2-8H,1,9H2,(H,20,21)/b17-16+
InChIKeyOOUUZWUOPSIRDB-WUKNDPDISA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one (CID 89033332) is (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one is C=Cc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one?
The InChIKey is OOUUZWUOPSIRDB-WUKNDPDISA-N. The full InChI is InChI=1S/C18H12FNO2/c1-2-10-3-5-13-11(7-10)9-22-17(13)16-14-8-12(19)4-6-15(14)20-18(16)21/h2-8H,1,9H2,(H,20,21)/b17-16+.
What are the key properties of (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one?
(3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one has a molecular weight of 293.30 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(5-ethenyl-3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 89033332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).