(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione

C12H9NO2Se — CID 6447523

IUPAC(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\C=C\c2ccccc2)[Se]1
InChIInChI=1S/C12H9NO2Se/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)/b7-4+,10-8+
InChIKeyAGCVZGCPEOCHTJ-DAAQNPAKSA-N
MW278.17 g/mol
LogP1.54
Rot. Bonds2

About (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione

(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione (PubChem CID 6447523) has the molecular formula C12H9NO2Se and a molecular weight of 278.17 g/mol. Its IUPAC name is (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione
PubChem CID6447523
Molecular FormulaC12H9NO2Se
Molecular Weight278.17 g/mol
Exact Mass278.98
IUPAC Name(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\C=C\c2ccccc2)[Se]1
InChIInChI=1S/C12H9NO2Se/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)/b7-4+,10-8+
InChIKeyAGCVZGCPEOCHTJ-DAAQNPAKSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione (CID 6447523) is (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione is O=C1NC(=O)/C(=C\C=C\c2ccccc2)[Se]1.
What is the InChIKey of (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione?
The InChIKey is AGCVZGCPEOCHTJ-DAAQNPAKSA-N. The full InChI is InChI=1S/C12H9NO2Se/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)/b7-4+,10-8+.
What are the key properties of (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione?
(5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione has a molecular weight of 278.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-phenylprop-2-enylidene]-1,3-selenazolidine-2,4-dione is sourced from PubChem (CID 6447523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).