Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc2c(c1)OC1(CCNCC1)CC2=O- InChIKey
ABXBOVQDVCFMQU-HWKANZROSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Names & identifiers
- Preferred name
- (E)-3-{4-oxo-spiro[chromane-2,4'-piperidine]-7-yl}-acrylic acid methyl ester
- IUPAC
- methyl (E)-3-(4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)prop-2-enoate
Names & synonyms
SCHEMBL1175750ABXBOVQDVCFMQU-HWKANZROSA-N(E)-3-{4-oxo-spiro[chromane-2,4'-piperidine]-7-yl}-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 52952094
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
2 records
Compound notes
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