methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate

C11H18N2O3 — CID 77101845

IUPACmethyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate
SMILESCCC(=CCN1CCN(C)C1=O)C(=O)OC
InChIInChI=1S/C11H18N2O3/c1-4-9(10(14)16-3)5-6-13-8-7-12(2)11(13)15/h5H,4,6-8H2,1-3H3
InChIKeyOKBXNJIXAHOWQO-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.86
Rot. Bonds4

About methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate

methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate (PubChem CID 77101845) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate
PubChem CID77101845
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate
SMILESCCC(=CCN1CCN(C)C1=O)C(=O)OC
InChIInChI=1S/C11H18N2O3/c1-4-9(10(14)16-3)5-6-13-8-7-12(2)11(13)15/h5H,4,6-8H2,1-3H3
InChIKeyOKBXNJIXAHOWQO-UHFFFAOYSA-N
XLogP0.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate
CID 139039111
Methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate
CID 77075265
Methyl 4-(2,5-dioxoimidazolidin-1-yl)-2-ethylbut-2-enoate
CID 77101051
Methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate
CID 77101100
Methyl 4-[2-(dimethylamino)ethyl-methylamino]-2-ethylbut-2-enoate
CID 77101121
Methyl 2-ethyl-4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)but-2-enoate
CID 77101494
Methyl 2-ethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
CID 77101496
Methyl 2-ethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]but-2-enoate
CID 77101650
2-Ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoic acid
CID 77101732
Methyl 2-ethyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]but-2-enoate
CID 77101781
methyl (Z)-2-ethyl-4-(2-oxo-3-propylimidazol-1-yl)but-2-enoate
CID 80579253
methyl (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoate
CID 80579280

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate (CID 77101845) is methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate is CCC(=CCN1CCN(C)C1=O)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate?
The InChIKey is OKBXNJIXAHOWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-9(10(14)16-3)5-6-13-8-7-12(2)11(13)15/h5H,4,6-8H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate?
methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate has a molecular weight of 226.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate is sourced from PubChem (CID 77101845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).