Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc2c(c1)C(=O)CC1(CCNCC1)O2- InChIKey
RSPRZJDXYPDHGP-HWKANZROSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
Names & identifiers
- Preferred name
- (E)-3-{4-oxo-spiro[chromane-2,4'-piperidine]-6-yl}-acrylic acid methyl ester
- IUPAC
- methyl (E)-3-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enoate
Names & synonyms
SCHEMBL1175456RSPRZJDXYPDHGP-HWKANZROSA-N(E)-3-{4-oxo-spiro[chromane-2,4'-piperidine]-6-yl}-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 52952093
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 467
Related reactions
11 records
Compound notes
Loading…