1-(Pyridin-4-yl)but-3-en-1-one
Basic information
- CAS
153254-98-9- Standard SMILES
C=CCC(=O)c1ccncc1- InChIKey
PIQYDUSLAZUOSQ-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 1-(Pyridin-4-yl)but-3-en-1-one
- IUPAC
- 1-pyridin-4-ylbut-3-en-1-one
- English name
- 3-Buten-1-one,1-(4-pyridinyl)-(9CI)
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
1-(pyridin-4-yl)but-3-en-1-one153254-98-91-pyridin-4-ylbut-3-en-1-one3-Buten-1-one,1-(4-pyridinyl)-(9CI)SCHEMBL49625543-Buten-1-one, 1-(4-pyridinyl)-AKOS010638190DB-271499
Database identifiers
- CAS
153254-98-9- PubChem CID
- 20644354
- Nikkaji
- J1.931.474J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
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Compound notes
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