2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

C13H11N2O6- — CID 7457894

IUPAC2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1O
InChIInChI=1S/C13H12N2O6/c1-21-10-3-2-7(5-9(10)16)4-8-12(19)15(6-11(17)18)13(20)14-8/h2-5,16H,6H2,1H3,(H,14,20)(H,17,18)/p-1/b8-4+
InChIKeyUIZVHHKXPYSLKM-XBXARRHUSA-M
MW291.24 g/mol
LogP-0.96
Rot. Bonds4

About 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7457894) has the molecular formula C13H11N2O6- and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7457894
Molecular FormulaC13H11N2O6-
Molecular Weight291.24 g/mol
Exact Mass291.06
IUPAC Name2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1O
InChIInChI=1S/C13H12N2O6/c1-21-10-3-2-7(5-9(10)16)4-8-12(19)15(6-11(17)18)13(20)14-8/h2-5,16H,6H2,1H3,(H,14,20)(H,17,18)/p-1/b8-4+
InChIKeyUIZVHHKXPYSLKM-XBXARRHUSA-M
XLogP-0.96
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126226720
2-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 6491916
(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 750602
2-[(4Z)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]acetate
CID 9367852
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 900298
methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490231
4-[(E)-[1-(carboxylatomethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
CID 7457869
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 5426863
2-[(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126244729
4-[[2-methoxy-4-[(E)-[1-(2-methoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 6084401
methyl 2-[(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490196
5-[(4-methoxyphenyl)methylidene]-3-(2-oxopropyl)imidazolidine-2,4-dione
CID 139624764

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (CID 7457894) is 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1O.
What is the InChIKey of 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is UIZVHHKXPYSLKM-XBXARRHUSA-M. The full InChI is InChI=1S/C13H12N2O6/c1-21-10-3-2-7(5-9(10)16)4-8-12(19)15(6-11(17)18)13(20)14-8/h2-5,16H,6H2,1H3,(H,14,20)(H,17,18)/p-1/b8-4+.
What are the key properties of 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 291.24 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7457894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).