1-(2,5-Dimethylpyrrolidin-1-yl)heptan-1-one
Basic information
- CAS
53662-23-0- Standard SMILES
CCCCCCC(=O)N1C(C)CCC1C- InChIKey
ZQTKTHHHPCGIIO-UHFFFAOYSA-N- Molecular formula
- C13H25NO
- Average molar mass
- 211.34 g/mol
- Monoisotopic mass
- 211.19361442
Names & identifiers
- Preferred name
- 1-(2,5-Dimethylpyrrolidin-1-yl)heptan-1-one
- IUPAC
- 1-(2,5-dimethylpyrrolidin-1-yl)heptan-1-one
Names & synonyms
53662-23-01-(2,5-dimethylpyrrolidin-1-yl)heptan-1-oneNSC195013DTXSID00307768NSC-195013
Database identifiers
- CAS
53662-23-0- PubChem CID
- 304085
- DTXSID
DTXSID00307768
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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