4-propylimidazol-2-one

C6H8N2O — CID 149250908

IUPAC4-propylimidazol-2-one
SMILESCCCC1=NC(=O)N=C1
InChIInChI=1S/C6H8N2O/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3
InChIKeyDFLHQCADYYJCDB-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.43
Rot. Bonds2

About 4-propylimidazol-2-one

4-propylimidazol-2-one (PubChem CID 149250908) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-propylimidazol-2-one.

Molecular Properties

Compound Name4-propylimidazol-2-one
PubChem CID149250908
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-propylimidazol-2-one
SMILESCCCC1=NC(=O)N=C1
InChIInChI=1S/C6H8N2O/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3
InChIKeyDFLHQCADYYJCDB-UHFFFAOYSA-N
XLogP1.43
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propylimidazol-2-one?
The IUPAC name of 4-propylimidazol-2-one (CID 149250908) is 4-propylimidazol-2-one.
What is the SMILES notation for 4-propylimidazol-2-one?
The canonical SMILES for 4-propylimidazol-2-one is CCCC1=NC(=O)N=C1.
What is the InChIKey of 4-propylimidazol-2-one?
The InChIKey is DFLHQCADYYJCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3.
What are the key properties of 4-propylimidazol-2-one?
4-propylimidazol-2-one has a molecular weight of 124.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylimidazol-2-one is sourced from PubChem (CID 149250908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).