1-(1-Piperidinyl)-2-buten-1-one
Basic information
- CAS
3626-69-5- Standard SMILES
CC=CC(=O)N1CCCCC1- InChIKey
DEHSTVNSEJEWPR-UHFFFAOYSA-N- Molecular formula
- C9H15NO
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.1153641
Names & identifiers
- Preferred name
- 1-(1-Piperidinyl)-2-buten-1-one
- IUPAC
- 1-piperidin-1-ylbut-2-en-1-one
Names & synonyms
SCHEMBL15369081SCHEMBL20240662SCHEMBL22657819SCHEMBL23466788SCHEMBL28328495DTXSID4013043601-(1-Piperidinyl)-2-buten-1-oneAKOS017262316NS000483131-(PIPERIDIN-1-YL)BUT-2-EN-1-ONE
Database identifiers
- CAS
3626-69-5- PubChem CID
- 107435
- DTXSID
DTXSID401304360
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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