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

C10H12N2O5 — CID 139973058

IUPAC1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H12N2O5/c1-5(2)9(15)17-6(3)12-8(14)7(13)11(4)10(12)16/h6H,1H2,2-4H3
InChIKeyJSSMUUZFFJEDNX-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.13
Rot. Bonds3

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

1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 139973058) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID139973058
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H12N2O5/c1-5(2)9(15)17-6(3)12-8(14)7(13)11(4)10(12)16/h6H,1H2,2-4H3
InChIKeyJSSMUUZFFJEDNX-UHFFFAOYSA-N
XLogP-0.13
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.13
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 1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate (CID 139973058) is 1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(3-methyl-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)C1=O.
What is the InChIKey of 1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is JSSMUUZFFJEDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5(2)9(15)17-6(3)12-8(14)7(13)11(4)10(12)16/h6H,1H2,2-4H3.
What are the key properties of 1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 240.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).