Basic information
- Standard SMILES
CC(=O)CCCC(=O)c1ccc(C)nc1- InChIKey
ZLPQJFKLMFURGQ-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 1-(2-Methyl-5-pyridinyl)hexan-1,5-dione
- IUPAC
- 1-(6-methyl-3-pyridinyl)hexane-1,5-dione
Names & synonyms
SCHEMBL11620450ZLPQJFKLMFURGQ-UHFFFAOYSA-N1-(2-methyl-5-pyridinyl)hexan1,5-dione1-(2-methyl-5-pyridinyl)hexan-1,5-dione
Database identifiers
- PubChem CID
- 22758255
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Related reactions
5 records
Compound notes
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