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

C10H16N2O3 — CID 77075265

IUPACmethyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate
SMILESCOC(=O)C(C)=CCN1CCN(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-8(9(13)15-3)4-5-12-7-6-11(2)10(12)14/h4H,5-7H2,1-3H3
InChIKeyCPYOMLAEDLNATH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.47
Rot. Bonds3

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

methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate (PubChem CID 77075265) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate
PubChem CID77075265
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate
SMILESCOC(=O)C(C)=CCN1CCN(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-8(9(13)15-3)4-5-12-7-6-11(2)10(12)14/h4H,5-7H2,1-3H3
InChIKeyCPYOMLAEDLNATH-UHFFFAOYSA-N
XLogP0.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.47
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate?
The IUPAC name of methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate (CID 77075265) is methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate is COC(=O)C(C)=CCN1CCN(C)C1=O.
What is the InChIKey of methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate?
The InChIKey is CPYOMLAEDLNATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8(9(13)15-3)4-5-12-7-6-11(2)10(12)14/h4H,5-7H2,1-3H3.
What are the key properties of methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate?
methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate has a molecular weight of 212.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoate is sourced from PubChem (CID 77075265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).