4-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)morpholine
Basic information
- CAS
26163-80-4- Standard SMILES
O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCOCC1- InChIKey
BVFLEPVRTQXJQL-UHFFFAOYSA-N- Molecular formula
- C16H17NO4
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.11575802
Names & identifiers
- Preferred name
- 4-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)morpholine
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one
Names & synonyms
DTXSID60134571826163-80-44-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)morpholineRefChem:1069994Morpholine, 4-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-DTXCID401774375
Database identifiers
- CAS
26163-80-4- PubChem CID
- 213320
- DTXSID
DTXSID601345718
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
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Related reactions
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Compound notes
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