1-butan-2-ylimidazolidine-2,4-dione

C7H12N2O2 — CID 22605175

IUPAC1-butan-2-ylimidazolidine-2,4-dione
SMILESCCC(C)N1CC(=O)NC1=O
InChIInChI=1S/C7H12N2O2/c1-3-5(2)9-4-6(10)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,10,11)
InChIKeyYKOPBYPLZBBEQR-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.34
Rot. Bonds2

About 1-butan-2-ylimidazolidine-2,4-dione

1-butan-2-ylimidazolidine-2,4-dione (PubChem CID 22605175) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-butan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-butan-2-ylimidazolidine-2,4-dione
PubChem CID22605175
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-butan-2-ylimidazolidine-2,4-dione
SMILESCCC(C)N1CC(=O)NC1=O
InChIInChI=1S/C7H12N2O2/c1-3-5(2)9-4-6(10)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,10,11)
InChIKeyYKOPBYPLZBBEQR-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-butan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1-butan-2-ylimidazolidine-2,4-dione (CID 22605175) is 1-butan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-butan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-butan-2-ylimidazolidine-2,4-dione is CCC(C)N1CC(=O)NC1=O.
What is the InChIKey of 1-butan-2-ylimidazolidine-2,4-dione?
The InChIKey is YKOPBYPLZBBEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-5(2)9-4-6(10)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,10,11).
What are the key properties of 1-butan-2-ylimidazolidine-2,4-dione?
1-butan-2-ylimidazolidine-2,4-dione has a molecular weight of 156.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 22605175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).