Basic information
- CAS
5075-96-7- Standard SMILES
Cl.OC1(c2ccccc2)CNC(C2CC=CCC2)C1- InChIKey
GRCRQJFGQWTGFT-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO
- Average molar mass
- 279.8 g/mol
- Monoisotopic mass
- 279.138992
Names & identifiers
- Preferred name
- 3-Pyrrolidinol, 5-(3-cyclohexenyl)-3-phenyl-, hydrochloride
- IUPAC
- 5-cyclohex-3-en-1-yl-3-phenylpyrrolidin-3-ol;hydrochloride
Names & synonyms
5075-96-73-Pyrrolidinol, 5-(3-cyclohexenyl)-3-phenyl-, hydrochlorideRefChem:10687555-(3-Cyclohexyl)-3-phenyl-3-pyrrolidinol hydrochloride5-(3-Cyclohexenyl)-3-phenyl-3-pyrrolidinol hydrochlorideDTXSID509649865-(Cyclohex-3-en-1-yl)-3-phenylpyrrolidin-3-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
5075-96-7- PubChem CID
- 199824
- DTXSID
DTXSID50964986
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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