(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione

C10H6BrNO3Se — CID 6448136

IUPAC(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(Br)ccc2O)[Se]1
InChIInChI=1S/C10H6BrNO3Se/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4+
InChIKeyZKTICQRXDCWPLM-XBXARRHUSA-N
MW347.03 g/mol
LogP1.45
Rot. Bonds1

About (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione

(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione (PubChem CID 6448136) has the molecular formula C10H6BrNO3Se and a molecular weight of 347.03 g/mol. Its IUPAC name is (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
PubChem CID6448136
Molecular FormulaC10H6BrNO3Se
Molecular Weight347.03 g/mol
Exact Mass346.87
IUPAC Name(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(Br)ccc2O)[Se]1
InChIInChI=1S/C10H6BrNO3Se/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4+
InChIKeyZKTICQRXDCWPLM-XBXARRHUSA-N
XLogP1.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.03
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione (CID 6448136) is (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc(Br)ccc2O)[Se]1.
What is the InChIKey of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione?
The InChIKey is ZKTICQRXDCWPLM-XBXARRHUSA-N. The full InChI is InChI=1S/C10H6BrNO3Se/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4+.
What are the key properties of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione?
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione has a molecular weight of 347.03 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione is sourced from PubChem (CID 6448136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).