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Basic information
- Standard SMILES
O=C1NCCc2ccc(OCCCN3CCCC3)cc21- InChIKey
FTLUIWDARWBONA-UHFFFAOYSA-N- Molecular formula
- C16H22N2O2
- Average molar mass
- 274.36 g/mol
- Monoisotopic mass
- 274.16812795
Names & identifiers
- Preferred name
- 7-(3-Pyrrolidin-1-yl-propoxy)-3,4-dihydro-2H-isoquinolin-1-one
- IUPAC
- 7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-2H-isoquinolin-1-one
Names & synonyms
SCHEMBL5106942FTLUIWDARWBONA-UHFFFAOYSA-N7-(3-Pyrrolidin-1-yl-propoxy)-3,4-dihydro-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 59640532
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Related reactions
2 records
Compound notes
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