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

C10H14N2O4 — CID 77101051

IUPACmethyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate
SMILESCCC(=CCN1C(=O)CNC1=O)C(=O)OC
InChIInChI=1S/C10H14N2O4/c1-3-7(9(14)16-2)4-5-12-8(13)6-11-10(12)15/h4H,3,5-6H2,1-2H3,(H,11,15)
InChIKeyIYUUIIJDZDSUBX-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.05
Rot. Bonds4

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

methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate (PubChem CID 77101051) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate
PubChem CID77101051
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate
SMILESCCC(=CCN1C(=O)CNC1=O)C(=O)OC
InChIInChI=1S/C10H14N2O4/c1-3-7(9(14)16-2)4-5-12-8(13)6-11-10(12)15/h4H,3,5-6H2,1-2H3,(H,11,15)
InChIKeyIYUUIIJDZDSUBX-UHFFFAOYSA-N
XLogP0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.05
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 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate (CID 77101051) is methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate is CCC(=CCN1C(=O)CNC1=O)C(=O)OC.
What is the InChIKey of methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate?
The InChIKey is IYUUIIJDZDSUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-7(9(14)16-2)4-5-12-8(13)6-11-10(12)15/h4H,3,5-6H2,1-2H3,(H,11,15).
What are the key properties of methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate?
methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate has a molecular weight of 226.23 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate is sourced from PubChem (CID 77101051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).