4-methyl-5-methylideneimidazol-2-one

C5H6N2O — CID 71303234

IUPAC4-methyl-5-methylideneimidazol-2-one
SMILESC=C1NC(=O)N=C1C
InChIInChI=1S/C5H6N2O/c1-3-4(2)7-5(8)6-3/h1H2,2H3,(H,6,8)
InChIKeyPTHAKJFCMIAMFS-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.68
Rot. Bonds

About 4-methyl-5-methylideneimidazol-2-one

4-methyl-5-methylideneimidazol-2-one (PubChem CID 71303234) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 4-methyl-5-methylideneimidazol-2-one.

Molecular Properties

Compound Name4-methyl-5-methylideneimidazol-2-one
PubChem CID71303234
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name4-methyl-5-methylideneimidazol-2-one
SMILESC=C1NC(=O)N=C1C
InChIInChI=1S/C5H6N2O/c1-3-4(2)7-5(8)6-3/h1H2,2H3,(H,6,8)
InChIKeyPTHAKJFCMIAMFS-UHFFFAOYSA-N
XLogP0.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylideneimidazol-2-one?
The IUPAC name of 4-methyl-5-methylideneimidazol-2-one (CID 71303234) is 4-methyl-5-methylideneimidazol-2-one.
What is the SMILES notation for 4-methyl-5-methylideneimidazol-2-one?
The canonical SMILES for 4-methyl-5-methylideneimidazol-2-one is C=C1NC(=O)N=C1C.
What is the InChIKey of 4-methyl-5-methylideneimidazol-2-one?
The InChIKey is PTHAKJFCMIAMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-3-4(2)7-5(8)6-3/h1H2,2H3,(H,6,8).
What are the key properties of 4-methyl-5-methylideneimidazol-2-one?
4-methyl-5-methylideneimidazol-2-one has a molecular weight of 110.12 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylideneimidazol-2-one is sourced from PubChem (CID 71303234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).