3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione

C11H16N2O3 — CID 63912854

IUPAC3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(=O)C2CC2)C1=O
InChIInChI=1S/C11H16N2O3/c1-2-3-8-10(15)13(11(16)12-8)6-9(14)7-4-5-7/h7-8H,2-6H2,1H3,(H,12,16)
InChIKeyBMBUDXSZTLAOQR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.69
Rot. Bonds5

About 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione

3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione (PubChem CID 63912854) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
PubChem CID63912854
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(=O)C2CC2)C1=O
InChIInChI=1S/C11H16N2O3/c1-2-3-8-10(15)13(11(16)12-8)6-9(14)7-4-5-7/h7-8H,2-6H2,1H3,(H,12,16)
InChIKeyBMBUDXSZTLAOQR-UHFFFAOYSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione (CID 63912854) is 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(CC(=O)C2CC2)C1=O.
What is the InChIKey of 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione?
The InChIKey is BMBUDXSZTLAOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-3-8-10(15)13(11(16)12-8)6-9(14)7-4-5-7/h7-8H,2-6H2,1H3,(H,12,16).
What are the key properties of 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione?
3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 63912854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).