1-(2,5-Dimethylpyrrolidin-1-yl)pentan-1-one
Basic information
- CAS
53662-22-9- Standard SMILES
CCCCC(=O)N1C(C)CCC1C- InChIKey
TWFWYOZYUAOZBA-UHFFFAOYSA-N- Molecular formula
- C11H21NO
- Average molar mass
- 183.29 g/mol
- Monoisotopic mass
- 183.16231429
Names & identifiers
- Preferred name
- 1-(2,5-Dimethylpyrrolidin-1-yl)pentan-1-one
- IUPAC
- 1-(2,5-dimethylpyrrolidin-1-yl)pentan-1-one
Names & synonyms
MLS00310701853662-22-91-(2,5-dimethylpyrrolidin-1-yl)pentan-1-oneNSC195004CHEMBL1893169SCHEMBL29191720DTXSID20307760NSC-195004SMR001821899
Database identifiers
- CAS
53662-22-9- PubChem CID
- 304076
- DTXSID
DTXSID20307760- ChEMBL
CHEMBL1893169
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
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Compound notes
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