3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione

C8H14N2O2 — CID 22093129

IUPAC3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-5-10-6(11)8(2,3)9(4)7(10)12/h5H2,1-4H3
InChIKeyPHJAYEZHLUWMIZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.68
Rot. Bonds1

About 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione

3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 22093129) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID22093129
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-5-10-6(11)8(2,3)9(4)7(10)12/h5H2,1-4H3
InChIKeyPHJAYEZHLUWMIZ-UHFFFAOYSA-N
XLogP0.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
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 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione (CID 22093129) is 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione is CCN1C(=O)N(C)C(C)(C)C1=O.
What is the InChIKey of 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is PHJAYEZHLUWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5-10-6(11)8(2,3)9(4)7(10)12/h5H2,1-4H3.
What are the key properties of 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione?
3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 170.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 22093129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).