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

C11H9NO3Se — CID 6447629

IUPAC(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/[Se]C(=O)NC2=O)cc1
InChIInChI=1S/C11H9NO3Se/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6+
InChIKeyWECUPWYURSALGJ-RMKNXTFCSA-N
MW282.16 g/mol
LogP0.99
Rot. Bonds2

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

(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione (PubChem CID 6447629) has the molecular formula C11H9NO3Se and a molecular weight of 282.16 g/mol. Its IUPAC name is (5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
PubChem CID6447629
Molecular FormulaC11H9NO3Se
Molecular Weight282.16 g/mol
Exact Mass282.97
IUPAC Name(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/[Se]C(=O)NC2=O)cc1
InChIInChI=1S/C11H9NO3Se/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6+
InChIKeyWECUPWYURSALGJ-RMKNXTFCSA-N
XLogP0.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
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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Related Compounds

3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 2882053
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione
CID 905014
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1365504
4-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
CID 131888638
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one
CID 174799833
(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one
CID 15722634
(5E)-5-[(4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2054849

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione (CID 6447629) is (5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione is COc1ccc(/C=C2/[Se]C(=O)NC2=O)cc1.
What is the InChIKey of (5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione?
The InChIKey is WECUPWYURSALGJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H9NO3Se/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6+.
What are the key properties of (5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione?
(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione has a molecular weight of 282.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione is sourced from PubChem (CID 6447629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).