methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

C15H16N2O6 — CID 6092913

IUPACmethyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1O
InChIInChI=1S/C15H16N2O6/c1-3-23-12-7-9(4-5-11(12)18)6-10-14(20)17(15(21)16-10)8-13(19)22-2/h4-7,18H,3,8H2,1-2H3,(H,16,21)/b10-6+
InChIKeyILIAJBZVIDXNAI-UXBLZVDNSA-N
MW320.30 g/mol
LogP0.86
Rot. Bonds5

About methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 6092913) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID6092913
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Namemethyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1O
InChIInChI=1S/C15H16N2O6/c1-3-23-12-7-9(4-5-11(12)18)6-10-14(20)17(15(21)16-10)8-13(19)22-2/h4-7,18H,3,8H2,1-2H3,(H,16,21)/b10-6+
InChIKeyILIAJBZVIDXNAI-UXBLZVDNSA-N
XLogP0.86
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.86
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (CID 6092913) is methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1O.
What is the InChIKey of methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is ILIAJBZVIDXNAI-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-3-23-12-7-9(4-5-11(12)18)6-10-14(20)17(15(21)16-10)8-13(19)22-2/h4-7,18H,3,8H2,1-2H3,(H,16,21)/b10-6+.
What are the key properties of methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 320.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 6092913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).