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

C11H16N2O4 — CID 77075805

IUPACmethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(8(14)17-4)5-6-13-9(15)11(2,3)12-10(13)16/h5H,6H2,1-4H3,(H,12,16)
InChIKeyAJTWEGUSEHOUPZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.44
Rot. Bonds3

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

methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate (PubChem CID 77075805) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate
PubChem CID77075805
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(8(14)17-4)5-6-13-9(15)11(2,3)12-10(13)16/h5H,6H2,1-4H3,(H,12,16)
InChIKeyAJTWEGUSEHOUPZ-UHFFFAOYSA-N
XLogP0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.44
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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate?
The IUPAC name of methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate (CID 77075805) is methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate is COC(=O)C(C)=CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate?
The InChIKey is AJTWEGUSEHOUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(8(14)17-4)5-6-13-9(15)11(2,3)12-10(13)16/h5H,6H2,1-4H3,(H,12,16).
What are the key properties of methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate?
methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate has a molecular weight of 240.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylbut-2-enoate is sourced from PubChem (CID 77075805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).