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Basic information
- Standard SMILES
O=C(O)c1cncc(-c2ccc3c(c2)C(=O)CC2(CCNCC2)O3)c1- InChIKey
WRSHDEWLMDWPCZ-UHFFFAOYSA-N- Molecular formula
- C19H18N2O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.12665706
Names & identifiers
- Preferred name
- 5-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)pyridine-3-carboxylic acid
- IUPAC
- 5-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL743892
Database identifiers
- PubChem CID
- 57930892
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Related reactions
4 records
Compound notes
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