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

C11H16N2O4 — CID 20833907

IUPACethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate
SMILESC=CCC(C(=O)OCC)C1(C)NC(=O)NC1=O
InChIInChI=1S/C11H16N2O4/c1-4-6-7(8(14)17-5-2)11(3)9(15)12-10(16)13-11/h4,7H,1,5-6H2,2-3H3,(H2,12,13,15,16)
InChIKeyLCBIXHPJWOGQQV-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.34
Rot. Bonds5

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

ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate (PubChem CID 20833907) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate
PubChem CID20833907
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate
SMILESC=CCC(C(=O)OCC)C1(C)NC(=O)NC1=O
InChIInChI=1S/C11H16N2O4/c1-4-6-7(8(14)17-5-2)11(3)9(15)12-10(16)13-11/h4,7H,1,5-6H2,2-3H3,(H2,12,13,15,16)
InChIKeyLCBIXHPJWOGQQV-UHFFFAOYSA-N
XLogP0.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate?
The IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate (CID 20833907) is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate.
What is the SMILES notation for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate?
The canonical SMILES for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate is C=CCC(C(=O)OCC)C1(C)NC(=O)NC1=O.
What is the InChIKey of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate?
The InChIKey is LCBIXHPJWOGQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-6-7(8(14)17-5-2)11(3)9(15)12-10(16)13-11/h4,7H,1,5-6H2,2-3H3,(H2,12,13,15,16).
What are the key properties of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate?
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate has a molecular weight of 240.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-enoate is sourced from PubChem (CID 20833907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).