4-ethyl-5-methylideneimidazol-2-one

C6H8N2O — CID 78357395

IUPAC4-ethyl-5-methylideneimidazol-2-one
SMILESC=C1NC(=O)N=C1CC
InChIInChI=1S/C6H8N2O/c1-3-5-4(2)7-6(9)8-5/h2-3H2,1H3,(H,7,9)
InChIKeyYWXCJEZJCZPZLD-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.07
Rot. Bonds1

About 4-ethyl-5-methylideneimidazol-2-one

4-ethyl-5-methylideneimidazol-2-one (PubChem CID 78357395) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-ethyl-5-methylideneimidazol-2-one.

Molecular Properties

Compound Name4-ethyl-5-methylideneimidazol-2-one
PubChem CID78357395
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-ethyl-5-methylideneimidazol-2-one
SMILESC=C1NC(=O)N=C1CC
InChIInChI=1S/C6H8N2O/c1-3-5-4(2)7-6(9)8-5/h2-3H2,1H3,(H,7,9)
InChIKeyYWXCJEZJCZPZLD-UHFFFAOYSA-N
XLogP1.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methylideneimidazol-2-one?
The IUPAC name of 4-ethyl-5-methylideneimidazol-2-one (CID 78357395) is 4-ethyl-5-methylideneimidazol-2-one.
What is the SMILES notation for 4-ethyl-5-methylideneimidazol-2-one?
The canonical SMILES for 4-ethyl-5-methylideneimidazol-2-one is C=C1NC(=O)N=C1CC.
What is the InChIKey of 4-ethyl-5-methylideneimidazol-2-one?
The InChIKey is YWXCJEZJCZPZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-3-5-4(2)7-6(9)8-5/h2-3H2,1H3,(H,7,9).
What are the key properties of 4-ethyl-5-methylideneimidazol-2-one?
4-ethyl-5-methylideneimidazol-2-one has a molecular weight of 124.14 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylideneimidazol-2-one is sourced from PubChem (CID 78357395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).