1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione

C7H8N2O3 — CID 558016

IUPAC1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C7H8N2O3/c1-3-4-9-6(11)5(10)8(2)7(9)12/h3H,1,4H2,2H3
InChIKeyXTKQGMGDXOWBKB-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.41
Rot. Bonds2

About 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione

1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione (PubChem CID 558016) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione
PubChem CID558016
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C7H8N2O3/c1-3-4-9-6(11)5(10)8(2)7(9)12/h3H,1,4H2,2H3
InChIKeyXTKQGMGDXOWBKB-UHFFFAOYSA-N
XLogP-0.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione (CID 558016) is 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione is C=CCN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione?
The InChIKey is XTKQGMGDXOWBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-3-4-9-6(11)5(10)8(2)7(9)12/h3H,1,4H2,2H3.
What are the key properties of 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione?
1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione has a molecular weight of 168.15 g/mol, XLogP of -0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enylimidazolidine-2,4,5-trione is sourced from PubChem (CID 558016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).