3-butylimidazolidine-2,4-dione

C7H12N2O2 — CID 568235

IUPAC3-butylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)CNC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-4-9-6(10)5-8-7(9)11/h2-5H2,1H3,(H,8,11)
InChIKeyPOOCDTKATJYNHL-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.34
Rot. Bonds3

About 3-butylimidazolidine-2,4-dione

3-butylimidazolidine-2,4-dione (PubChem CID 568235) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-butylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butylimidazolidine-2,4-dione
PubChem CID568235
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3-butylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)CNC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-4-9-6(10)5-8-7(9)11/h2-5H2,1H3,(H,8,11)
InChIKeyPOOCDTKATJYNHL-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.34
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 3-butylimidazolidine-2,4-dione?
The IUPAC name of 3-butylimidazolidine-2,4-dione (CID 568235) is 3-butylimidazolidine-2,4-dione.
What is the SMILES notation for 3-butylimidazolidine-2,4-dione?
The canonical SMILES for 3-butylimidazolidine-2,4-dione is CCCCN1C(=O)CNC1=O.
What is the InChIKey of 3-butylimidazolidine-2,4-dione?
The InChIKey is POOCDTKATJYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-4-9-6(10)5-8-7(9)11/h2-5H2,1H3,(H,8,11).
What are the key properties of 3-butylimidazolidine-2,4-dione?
3-butylimidazolidine-2,4-dione has a molecular weight of 156.19 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylimidazolidine-2,4-dione is sourced from PubChem (CID 568235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).