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

C14H14N2O5 — CID 6383980

IUPACmethyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N/C(=C/c2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H14N2O5/c1-20-10-5-3-9(4-6-10)7-11-13(18)16(14(19)15-11)8-12(17)21-2/h3-7H,8H2,1-2H3,(H,15,19)/b11-7+
InChIKeyCWPSDWMWZYKAEL-YRNVUSSQSA-N
MW290.28 g/mol
LogP0.76
Rot. Bonds4

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

methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 6383980) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID6383980
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Namemethyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N/C(=C/c2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H14N2O5/c1-20-10-5-3-9(4-6-10)7-11-13(18)16(14(19)15-11)8-12(17)21-2/h3-7H,8H2,1-2H3,(H,15,19)/b11-7+
InChIKeyCWPSDWMWZYKAEL-YRNVUSSQSA-N
XLogP0.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (CID 6383980) is methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)cc2)C1=O.
What is the InChIKey of methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is CWPSDWMWZYKAEL-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-10-5-3-9(4-6-10)7-11-13(18)16(14(19)15-11)8-12(17)21-2/h3-7H,8H2,1-2H3,(H,15,19)/b11-7+.
What are the key properties of methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 290.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 6383980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).