1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione

C10H16N2O4 — CID 21027107

IUPAC1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione
SMILESCC(C)(C)COCCN1C(=O)NC(=O)C1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)6-16-5-4-12-8(14)7(13)11-9(12)15/h4-6H2,1-3H3,(H,11,13,15)
InChIKeyRKIQCWSEUJZNKI-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.13
Rot. Bonds4

About 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione

1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione (PubChem CID 21027107) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione
PubChem CID21027107
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione
SMILESCC(C)(C)COCCN1C(=O)NC(=O)C1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)6-16-5-4-12-8(14)7(13)11-9(12)15/h4-6H2,1-3H3,(H,11,13,15)
InChIKeyRKIQCWSEUJZNKI-UHFFFAOYSA-N
XLogP0.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione (CID 21027107) is 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione is CC(C)(C)COCCN1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is RKIQCWSEUJZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2,3)6-16-5-4-12-8(14)7(13)11-9(12)15/h4-6H2,1-3H3,(H,11,13,15).
What are the key properties of 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione?
1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 228.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 21027107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).