1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione

C10H16N2O3 — CID 106801687

IUPAC1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
SMILESCCC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-8(13)5-4-6-12-9(14)7-11(2)10(12)15/h3-7H2,1-2H3
InChIKeyWUBOTHZMXGAWGR-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.64
Rot. Bonds5

About 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione

1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione (PubChem CID 106801687) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
PubChem CID106801687
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
SMILESCCC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-8(13)5-4-6-12-9(14)7-11(2)10(12)15/h3-7H2,1-2H3
InChIKeyWUBOTHZMXGAWGR-UHFFFAOYSA-N
XLogP0.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
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 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione (CID 106801687) is 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione is CCC(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione?
The InChIKey is WUBOTHZMXGAWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-8(13)5-4-6-12-9(14)7-11(2)10(12)15/h3-7H2,1-2H3.
What are the key properties of 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione?
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione is sourced from PubChem (CID 106801687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).