methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate

C11H16N2O4 — CID 77101496

IUPACmethyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
SMILESCCC(=CCN1C(=O)CN(C)C1=O)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-4-8(10(15)17-3)5-6-13-9(14)7-12(2)11(13)16/h5H,4,6-7H2,1-3H3
InChIKeyYCBQLQXCNQSONQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.39
Rot. Bonds4

About methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate

methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate (PubChem CID 77101496) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
PubChem CID77101496
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
SMILESCCC(=CCN1C(=O)CN(C)C1=O)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-4-8(10(15)17-3)5-6-13-9(14)7-12(2)11(13)16/h5H,4,6-7H2,1-3H3
InChIKeyYCBQLQXCNQSONQ-UHFFFAOYSA-N
XLogP0.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.39
H-Bond Donors ≤ 50
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-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate (CID 77101496) is methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate is CCC(=CCN1C(=O)CN(C)C1=O)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
The InChIKey is YCBQLQXCNQSONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-8(10(15)17-3)5-6-13-9(14)7-12(2)11(13)16/h5H,4,6-7H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate has a molecular weight of 240.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate is sourced from PubChem (CID 77101496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).