Cyclopentanone, 2-(4-(1-pyrrolidinyl)-2-butyn-1-yl)-, hydrochloride
Basic information
- CAS
3854-13-5- Standard SMILES
Cl.O=C1CCCC1CC#CCN1CCCC1- InChIKey
VJHGPHSEQNWNOA-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO
- Average molar mass
- 241.76 g/mol
- Monoisotopic mass
- 241.123342
Names & identifiers
- Preferred name
- Cyclopentanone, 2-(4-(1-pyrrolidinyl)-2-butyn-1-yl)-, hydrochloride
- IUPAC
- 2-(4-pyrrolidin-1-ylbut-2-ynyl)cyclopentan-1-one;hydrochloride
Names & synonyms
1-(4-Pyrrolidin-1'-ylbut-2-yn-1-yl)cyclopentan-2-one hydrochlorideCyclopentanone, 2-(4-(1-pyrrolidinyl)-2-butyn-1-yl)-, hydrochloride3854-13-5RefChem:336042DTXSID909594122-[4-(Pyrrolidin-1-yl)but-2-yn-1-yl]cyclopentan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
3854-13-5- PubChem CID
- 199238
- DTXSID
DTXSID90959412
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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