Basic information
- CAS
5075-95-6- Standard SMILES
Cl.OC1(c2ccc(Cl)cc2)CNC(C2CC=CCC2)C1- InChIKey
BFMKHFPHRVUHTP-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2NO
- Average molar mass
- 314.2 g/mol
- Monoisotopic mass
- 313.1000197
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-(cyclohex-3-en-1-yl)pyrrolidin-3-ol--hydrogen chloride (1/1)
- IUPAC
- 3-(4-chlorophenyl)-5-cyclohex-3-en-1-ylpyrrolidin-3-ol;hydrochloride
Names & synonyms
5075-95-6DTXSID909649853-(4-Chlorophenyl)-5-(cyclohex-3-en-1-yl)pyrrolidin-3-ol--hydrogen chloride (1/1)RefChem:1066822DTXCID2013926623-(p-Chlorophenyl)-5-(3-cyclohexenyl)-3-pyrrolidinol hydrochloride3-Pyrrolidinol, 3-(p-chlorophenyl)-5-(3-cyclohexenyl)-, hydrochloride
Database identifiers
- CAS
5075-95-6- PubChem CID
- 199822
- DTXSID
DTXSID90964985
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…