1-(2-ethylbutyl)imidazolidine-2,4-dione

C9H16N2O2 — CID 82925481

IUPAC1-(2-ethylbutyl)imidazolidine-2,4-dione
SMILESCCC(CC)CN1CC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-3-7(4-2)5-11-6-8(12)10-9(11)13/h7H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyGMHFURYTDHSJBQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.97
Rot. Bonds4

About 1-(2-ethylbutyl)imidazolidine-2,4-dione

1-(2-ethylbutyl)imidazolidine-2,4-dione (PubChem CID 82925481) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(2-ethylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethylbutyl)imidazolidine-2,4-dione
PubChem CID82925481
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(2-ethylbutyl)imidazolidine-2,4-dione
SMILESCCC(CC)CN1CC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-3-7(4-2)5-11-6-8(12)10-9(11)13/h7H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyGMHFURYTDHSJBQ-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 1-(2-ethylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2-ethylbutyl)imidazolidine-2,4-dione (CID 82925481) is 1-(2-ethylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-ethylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-ethylbutyl)imidazolidine-2,4-dione is CCC(CC)CN1CC(=O)NC1=O.
What is the InChIKey of 1-(2-ethylbutyl)imidazolidine-2,4-dione?
The InChIKey is GMHFURYTDHSJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-7(4-2)5-11-6-8(12)10-9(11)13/h7H,3-6H2,1-2H3,(H,10,12,13).
What are the key properties of 1-(2-ethylbutyl)imidazolidine-2,4-dione?
1-(2-ethylbutyl)imidazolidine-2,4-dione has a molecular weight of 184.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82925481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).