methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate

C13H20N2O4 — CID 77100724

IUPACmethyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
SMILESCCC(=CCN1C(=O)NC(C)(CC)C1=O)C(=O)OC
InChIInChI=1S/C13H20N2O4/c1-5-9(10(16)19-4)7-8-15-11(17)13(3,6-2)14-12(15)18/h7H,5-6,8H2,1-4H3,(H,14,18)
InChIKeyIMGFEZQWWPXZCN-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.22
Rot. Bonds5

About methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate

methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate (PubChem CID 77100724) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
PubChem CID77100724
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
SMILESCCC(=CCN1C(=O)NC(C)(CC)C1=O)C(=O)OC
InChIInChI=1S/C13H20N2O4/c1-5-9(10(16)19-4)7-8-15-11(17)13(3,6-2)14-12(15)18/h7H,5-6,8H2,1-4H3,(H,14,18)
InChIKeyIMGFEZQWWPXZCN-UHFFFAOYSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate (CID 77100724) is methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate is CCC(=CCN1C(=O)NC(C)(CC)C1=O)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
The InChIKey is IMGFEZQWWPXZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-5-9(10(16)19-4)7-8-15-11(17)13(3,6-2)14-12(15)18/h7H,5-6,8H2,1-4H3,(H,14,18).
What are the key properties of methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate is sourced from PubChem (CID 77100724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).