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

C11H14N2O4 — CID 24839036

IUPACethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate
SMILESC#CCC(C(=O)OCC)C1(C)NC(=O)NC1=O
InChIInChI=1S/C11H14N2O4/c1-4-6-7(8(14)17-5-2)11(3)9(15)12-10(16)13-11/h1,7H,5-6H2,2-3H3,(H2,12,13,15,16)
InChIKeyNZWGBYQIXMEFKH-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.21
Rot. Bonds4

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

ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate (PubChem CID 24839036) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate
PubChem CID24839036
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate
SMILESC#CCC(C(=O)OCC)C1(C)NC(=O)NC1=O
InChIInChI=1S/C11H14N2O4/c1-4-6-7(8(14)17-5-2)11(3)9(15)12-10(16)13-11/h1,7H,5-6H2,2-3H3,(H2,12,13,15,16)
InChIKeyNZWGBYQIXMEFKH-UHFFFAOYSA-N
XLogP-0.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate?
The IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate (CID 24839036) is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate.
What is the SMILES notation for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate?
The canonical SMILES for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate 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-ynoate?
The InChIKey is NZWGBYQIXMEFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-6-7(8(14)17-5-2)11(3)9(15)12-10(16)13-11/h1,7H,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-ynoate?
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pent-4-ynoate has a molecular weight of 238.24 g/mol, XLogP of -0.21, 4 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-ynoate is sourced from PubChem (CID 24839036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).