4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate

C12H16N2O5 — CID 139973002

IUPAC4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C12H16N2O5/c1-7(2)11(17)19-8(3)5-6-14-10(16)9(15)13(4)12(14)18/h8H,1,5-6H2,2-4H3
InChIKeyKYTNBEQKMYXMKT-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.30
Rot. Bonds5

About 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate

4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate (PubChem CID 139973002) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate
PubChem CID139973002
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C12H16N2O5/c1-7(2)11(17)19-8(3)5-6-14-10(16)9(15)13(4)12(14)18/h8H,1,5-6H2,2-4H3
InChIKeyKYTNBEQKMYXMKT-UHFFFAOYSA-N
XLogP0.30
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate (CID 139973002) is 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CCN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate?
The InChIKey is KYTNBEQKMYXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(2)11(17)19-8(3)5-6-14-10(16)9(15)13(4)12(14)18/h8H,1,5-6H2,2-4H3.
What are the key properties of 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate?
4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate has a molecular weight of 268.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)butan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139973002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).