1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate

C12H16N2O5 — CID 139973048

IUPAC1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1C(=O)C(=O)N(CCC)C1=O
InChIInChI=1S/C12H16N2O5/c1-5-6-13-9(15)10(16)14(12(13)18)8(4)19-11(17)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyAQNGXSLTRWHYTB-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.65
Rot. Bonds5

About 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate

1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 139973048) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID139973048
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1C(=O)C(=O)N(CCC)C1=O
InChIInChI=1S/C12H16N2O5/c1-5-6-13-9(15)10(16)14(12(13)18)8(4)19-11(17)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyAQNGXSLTRWHYTB-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
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'}

Analyze 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate (CID 139973048) is 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)N1C(=O)C(=O)N(CCC)C1=O.
What is the InChIKey of 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is AQNGXSLTRWHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-5-6-13-9(15)10(16)14(12(13)18)8(4)19-11(17)7(2)3/h8H,2,5-6H2,1,3-4H3.
What are the key properties of 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate?
1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 268.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trioxo-3-propylimidazolidin-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).