5-butan-2-ylimidazole-2,4-dione

C7H10N2O2 — CID 147786839

IUPAC5-butan-2-ylimidazole-2,4-dione
SMILESCCC(C)C1=NC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-3-4(2)5-6(10)9-7(11)8-5/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyHIVUSOBWDSDLMH-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.72
Rot. Bonds2

About 5-butan-2-ylimidazole-2,4-dione

5-butan-2-ylimidazole-2,4-dione (PubChem CID 147786839) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-butan-2-ylimidazole-2,4-dione.

Molecular Properties

Compound Name5-butan-2-ylimidazole-2,4-dione
PubChem CID147786839
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-butan-2-ylimidazole-2,4-dione
SMILESCCC(C)C1=NC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-3-4(2)5-6(10)9-7(11)8-5/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyHIVUSOBWDSDLMH-UHFFFAOYSA-N
XLogP0.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylimidazole-2,4-dione?
The IUPAC name of 5-butan-2-ylimidazole-2,4-dione (CID 147786839) is 5-butan-2-ylimidazole-2,4-dione.
What is the SMILES notation for 5-butan-2-ylimidazole-2,4-dione?
The canonical SMILES for 5-butan-2-ylimidazole-2,4-dione is CCC(C)C1=NC(=O)NC1=O.
What is the InChIKey of 5-butan-2-ylimidazole-2,4-dione?
The InChIKey is HIVUSOBWDSDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-4(2)5-6(10)9-7(11)8-5/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 5-butan-2-ylimidazole-2,4-dione?
5-butan-2-ylimidazole-2,4-dione has a molecular weight of 154.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylimidazole-2,4-dione is sourced from PubChem (CID 147786839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).