(2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one

C13H8BrNO2 — CID 45043426

IUPAC(2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one
SMILESO=C1/C(=C\c2ccc(Br)o2)Nc2ccccc21
InChIInChI=1S/C13H8BrNO2/c14-12-6-5-8(17-12)7-11-13(16)9-3-1-2-4-10(9)15-11/h1-7,15H/b11-7+
InChIKeyVYFZHBILMOVCHU-YRNVUSSQSA-N
MW290.12 g/mol
LogP3.69
Rot. Bonds1

About (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one

(2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one (PubChem CID 45043426) has the molecular formula C13H8BrNO2 and a molecular weight of 290.12 g/mol. Its IUPAC name is (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one.

Molecular Properties

Compound Name(2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one
PubChem CID45043426
Molecular FormulaC13H8BrNO2
Molecular Weight290.12 g/mol
Exact Mass288.97
IUPAC Name(2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one
SMILESO=C1/C(=C\c2ccc(Br)o2)Nc2ccccc21
InChIInChI=1S/C13H8BrNO2/c14-12-6-5-8(17-12)7-11-13(16)9-3-1-2-4-10(9)15-11/h1-7,15H/b11-7+
InChIKeyVYFZHBILMOVCHU-YRNVUSSQSA-N
XLogP3.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.69
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 (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one?
The IUPAC name of (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one (CID 45043426) is (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one.
What is the SMILES notation for (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one?
The canonical SMILES for (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one is O=C1/C(=C\c2ccc(Br)o2)Nc2ccccc21.
What is the InChIKey of (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one?
The InChIKey is VYFZHBILMOVCHU-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H8BrNO2/c14-12-6-5-8(17-12)7-11-13(16)9-3-1-2-4-10(9)15-11/h1-7,15H/b11-7+.
What are the key properties of (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one?
(2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one has a molecular weight of 290.12 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5-bromofuran-2-yl)methylidene]-1H-indol-3-one is sourced from PubChem (CID 45043426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).