Basic information
- CAS
3854-14-6- Standard SMILES
CN(C)CC#CCC1CCCC1=O.Cl- InChIKey
MQKQOYCCTHFNDE-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO
- Average molar mass
- 215.72 g/mol
- Monoisotopic mass
- 215.1076919
Names & identifiers
- Preferred name
- Cyclopentanone, 2-(4-(dimethylamino)-2-butynyl)-, hydrochloride
- IUPAC
- 2-[4-(dimethylamino)but-2-ynyl]cyclopentan-1-one;hydrochloride
Names & synonyms
2-(4-(Dimethylamino)-2-butynyl)cyclopentanone hydrochloride3854-14-61-(4-Dimethylaminobut-2-ynyl)cyclopentan-2-one hydrochlorideCyclopentanone, 2-(4-(dimethylamino)-2-butynyl)-, hydrochlorideRefChem:336043DTXSID509594132-[4-(Dimethylamino)but-2-yn-1-yl]cyclopentan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
3854-14-6- PubChem CID
- 199240
- DTXSID
DTXSID50959413
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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