5-tert-butyl-3-ethylimidazolidine-2,4-dione

C9H16N2O2 — CID 131177295

IUPAC5-tert-butyl-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C9H16N2O2/c1-5-11-7(12)6(9(2,3)4)10-8(11)13/h6H,5H2,1-4H3,(H,10,13)
InChIKeyDRQOBUIIZHVSDL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.97
Rot. Bonds1

About 5-tert-butyl-3-ethylimidazolidine-2,4-dione

5-tert-butyl-3-ethylimidazolidine-2,4-dione (PubChem CID 131177295) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-tert-butyl-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-3-ethylimidazolidine-2,4-dione
PubChem CID131177295
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-tert-butyl-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C9H16N2O2/c1-5-11-7(12)6(9(2,3)4)10-8(11)13/h6H,5H2,1-4H3,(H,10,13)
InChIKeyDRQOBUIIZHVSDL-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethylimidazolidine-2,4-dione?
The IUPAC name of 5-tert-butyl-3-ethylimidazolidine-2,4-dione (CID 131177295) is 5-tert-butyl-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for 5-tert-butyl-3-ethylimidazolidine-2,4-dione is CCN1C(=O)NC(C(C)(C)C)C1=O.
What is the InChIKey of 5-tert-butyl-3-ethylimidazolidine-2,4-dione?
The InChIKey is DRQOBUIIZHVSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5-11-7(12)6(9(2,3)4)10-8(11)13/h6H,5H2,1-4H3,(H,10,13).
What are the key properties of 5-tert-butyl-3-ethylimidazolidine-2,4-dione?
5-tert-butyl-3-ethylimidazolidine-2,4-dione has a molecular weight of 184.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 131177295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).