2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate

C11H16N2O4 — CID 88987490

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(2)8(14)17-6-5-13-9(15)11(3,4)12-10(13)16/h1,5-6H2,2-4H3,(H,12,16)
InChIKeyHKMHQRBDUWMYRE-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.44
Rot. Bonds4

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 88987490) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID88987490
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(2)8(14)17-6-5-13-9(15)11(3,4)12-10(13)16/h1,5-6H2,2-4H3,(H,12,16)
InChIKeyHKMHQRBDUWMYRE-UHFFFAOYSA-N
XLogP0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 86776670
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 46608614
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide
CID 65248645
(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)methyl 2-methylprop-2-enoate
CID 146865187
2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
CID 18314417
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 43243887
ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate
CID 47029520

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate (CID 88987490) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is HKMHQRBDUWMYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(2)8(14)17-6-5-13-9(15)11(3,4)12-10(13)16/h1,5-6H2,2-4H3,(H,12,16).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 240.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88987490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).