1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate

C12H16N2O6 — CID 139973005

IUPAC1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1C(=O)C(=O)N(C(C)OC)C1=O
InChIInChI=1S/C12H16N2O6/c1-6(2)11(17)20-8(4)14-10(16)9(15)13(12(14)18)7(3)19-5/h7-8H,1H2,2-5H3
InChIKeyLNCLPJNNFGYLML-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.23
Rot. Bonds5

About 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate

1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate (PubChem CID 139973005) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate
PubChem CID139973005
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1C(=O)C(=O)N(C(C)OC)C1=O
InChIInChI=1S/C12H16N2O6/c1-6(2)11(17)20-8(4)14-10(16)9(15)13(12(14)18)7(3)19-5/h7-8H,1H2,2-5H3
InChIKeyLNCLPJNNFGYLML-UHFFFAOYSA-N
XLogP0.23
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate (CID 139973005) is 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)N1C(=O)C(=O)N(C(C)OC)C1=O.
What is the InChIKey of 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate?
The InChIKey is LNCLPJNNFGYLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-6(2)11(17)20-8(4)14-10(16)9(15)13(12(14)18)7(3)19-5/h7-8H,1H2,2-5H3.
What are the key properties of 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate?
1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate has a molecular weight of 284.27 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).