1H-Imidazole, 1-(2-methyl-1-oxo-2-propenyl)-
Basic information
- CAS
54060-80-9- Standard SMILES
C=C(C)C(=O)n1ccnc1- InChIKey
OMRBLVYISVXTDL-UHFFFAOYSA-N- Molecular formula
- C7H8N2O
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.06366288
Names & identifiers
- Preferred name
- 1H-Imidazole, 1-(2-methyl-1-oxo-2-propenyl)-
- IUPAC
- 1-imidazol-1-yl-2-methylprop-2-en-1-one
Names & synonyms
54060-80-91H-Imidazole, 1-(2-methyl-1-oxo-2-propenyl)-N-(2-Methylacryloyl)imidazola1-(1H-Imidazol-1-yl)-2-methylprop-2-en-1-one1-Methacryloyl imidazoleSCHEMBL23466661-Methacryloyl-1H-imidazole #DTXSID70336484OMRBLVYISVXTDL-UHFFFAOYSA-NMFCD30062950
Database identifiers
- CAS
54060-80-9- PubChem CID
- 534045
- DTXSID
DTXSID70336484
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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