[(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

C12H18N2O4 — CID 55475701

IUPAC[(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESC/C=C/COC(=O)CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C12H18N2O4/c1-4-6-7-18-9(15)8-14-10(16)12(3,5-2)13-11(14)17/h4,6H,5,7-8H2,1-3H3,(H,13,17)/b6-4+
InChIKeyHVYLCMKHZQWFLX-GQCTYLIASA-N
MW254.29 g/mol
LogP0.83
Rot. Bonds5

About [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

[(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 55475701) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID55475701
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name[(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESC/C=C/COC(=O)CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C12H18N2O4/c1-4-6-7-18-9(15)8-14-10(16)12(3,5-2)13-11(14)17/h4,6H,5,7-8H2,1-3H3,(H,13,17)/b6-4+
InChIKeyHVYLCMKHZQWFLX-GQCTYLIASA-N
XLogP0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 55475701) is [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is C/C=C/COC(=O)CN1C(=O)NC(C)(CC)C1=O.
What is the InChIKey of [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is HVYLCMKHZQWFLX-GQCTYLIASA-N. The full InChI is InChI=1S/C12H18N2O4/c1-4-6-7-18-9(15)8-14-10(16)12(3,5-2)13-11(14)17/h4,6H,5,7-8H2,1-3H3,(H,13,17)/b6-4+.
What are the key properties of [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
[(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 254.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 55475701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).