spiro[4H-isochromene-3,4'-piperidine]-1-one
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Basic information
- CAS
37751-73-8- Standard SMILES
O=C1OC2(CCNCC2)Cc2ccccc21- InChIKey
SNJCRKAPYZZDKF-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- spiro[4H-isochromene-3,4'-piperidine]-1-one
- IUPAC
- spiro[4H-isochromene-3,4'-piperidine]-1-one
- English name
- Spiro[3H-2-benzopyran-3,4'-piperidin]-1(4H)-one
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
SCHEMBL650480CHEMBL1195143SCHEMBL30541946SNJCRKAPYZZDKF-UHFFFAOYSA-Nspiro[isochroman-3,4'-piperidin]-1-oneSpiro[3H-2-benzopyran-3,4'-piperidin]-1(4H)-one
Database identifiers
- CAS
37751-73-8- PubChem CID
- 12704136
- ChEMBL
CHEMBL1195143
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
3 records
Compound notes
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