5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione

C12H20N2O3 — CID 154593899

IUPAC5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione
SMILESCC(CC1NC(=O)NC1=O)C(=O)CC(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-7(9(15)6-12(2,3)4)5-8-10(16)14-11(17)13-8/h7-8H,5-6H2,1-4H3,(H2,13,14,16,17)
InChIKeyFAUXNHYGMRJDTR-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.23
Rot. Bonds4

About 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione

5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione (PubChem CID 154593899) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione
PubChem CID154593899
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione
SMILESCC(CC1NC(=O)NC1=O)C(=O)CC(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-7(9(15)6-12(2,3)4)5-8-10(16)14-11(17)13-8/h7-8H,5-6H2,1-4H3,(H2,13,14,16,17)
InChIKeyFAUXNHYGMRJDTR-UHFFFAOYSA-N
XLogP1.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-((2-Oxocyclopentyl)methyl)imidazolidine-2,4-dione
CID 59360733
5-(Heptan-3-YL)imidazolidine-2,4-dione
CID 127263520
5-Hexan-2-ylimidazolidine-2,4-dione
CID 67782744
5-Leucinylhydantoin
CID 129852646
(5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione
CID 130607643
Sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione
CID 135001720
(5R)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione
CID 135080851
3-Acetyl-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione
CID 135081166
5-Cyclooctylimidazolidine-2,4-dione
CID 19009303
5-(4,4-Dimethylpentyl)imidazolidine-2,4-dione
CID 20609400
5-(4,4-Dimethylpentyl)-3-methylimidazolidine-2,4-dione
CID 20682775
(2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide
CID 58412565

Frequently Asked Questions

What is the IUPAC name of 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione (CID 154593899) is 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione is CC(CC1NC(=O)NC1=O)C(=O)CC(C)(C)C.
What is the InChIKey of 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione?
The InChIKey is FAUXNHYGMRJDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7(9(15)6-12(2,3)4)5-8-10(16)14-11(17)13-8/h7-8H,5-6H2,1-4H3,(H2,13,14,16,17).
What are the key properties of 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione?
5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5,5-trimethyl-3-oxohexyl)imidazolidine-2,4-dione is sourced from PubChem (CID 154593899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).