methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate

C10H14N2O4 — CID 77074476

IUPACmethyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
SMILESCOC(=O)C(C)=CCN1C(=O)CN(C)C1=O
InChIInChI=1S/C10H14N2O4/c1-7(9(14)16-3)4-5-12-8(13)6-11(2)10(12)15/h4H,5-6H2,1-3H3
InChIKeyCRTOIPJCFIDLSU-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.00
Rot. Bonds3

About methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate

methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate (PubChem CID 77074476) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
PubChem CID77074476
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
SMILESCOC(=O)C(C)=CCN1C(=O)CN(C)C1=O
InChIInChI=1S/C10H14N2O4/c1-7(9(14)16-3)4-5-12-8(13)6-11(2)10(12)15/h4H,5-6H2,1-3H3
InChIKeyCRTOIPJCFIDLSU-UHFFFAOYSA-N
XLogP-0.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
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 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
The IUPAC name of methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate (CID 77074476) is methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate is COC(=O)C(C)=CCN1C(=O)CN(C)C1=O.
What is the InChIKey of methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
The InChIKey is CRTOIPJCFIDLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7(9(14)16-3)4-5-12-8(13)6-11(2)10(12)15/h4H,5-6H2,1-3H3.
What are the key properties of methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate?
methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate has a molecular weight of 226.23 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate is sourced from PubChem (CID 77074476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).