Basic information
- CAS
22019-21-2- Standard SMILES
Cl.O=C1c2ccccc2C(=O)C1(CC#CCN1CCCC1)c1ccccc1- InChIKey
YWOUBUAYKPGGMN-UHFFFAOYSA-N- Molecular formula
- C23H22ClNO2
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.1339066
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-phenyl-2-(4-(1-pyrrolidinyl)-2-butynyl)-, hydrochloride
- IUPAC
- 2-phenyl-2-(4-pyrrolidin-1-ylbut-2-ynyl)indene-1,3-dione;hydrochloride
Names & synonyms
22019-21-22-Phenyl-2-(delta-pyrrolidinylbutynyl)indan-1,3-dione hydrochloride1,3-Indandione, 2-phenyl-2-(4-(1-pyrrolidinyl)-2-butynyl)-, hydrochlorideRefChem:219337DTXSID109446232-Phenyl-2-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
22019-21-2- PubChem CID
- 210971
- DTXSID
DTXSID10944623
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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