1-(1H-imidazol-5-yl)octan-1-one
Basic information
- CAS
61985-27-1- Standard SMILES
CCCCCCCC(=O)c1cnc[nH]1- InChIKey
OZGSUSHIJFPGRT-UHFFFAOYSA-N- Molecular formula
- C11H18N2O
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.1419132
Names & identifiers
- Preferred name
- 1-(1H-imidazol-5-yl)octan-1-one
- IUPAC
- 1-(1H-imidazol-5-yl)octan-1-one
Names & synonyms
1-(1H-imidazol-5-yl)octan-1-one1H-Imidazole, 5-octanoyl-61985-27-1DTXSID10341517OZGSUSHIJFPGRT-UHFFFAOYSA-N1-(1H-Imidazol-5-yl)-1-octanone #
Database identifiers
- CAS
61985-27-1- PubChem CID
- 573571
- DTXSID
DTXSID10341517
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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