1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one
Basic information
- CAS
88855-24-7- Standard SMILES
C=C=CCC(=O)N1CCCC1- InChIKey
WREPYVNKKYIQER-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one
- IUPAC
- 1-pyrrolidin-1-ylpenta-3,4-dien-1-one
Names & synonyms
1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one88855-24-7DTXSID30316469RefChem:227110DTXCID20267592NSC303728NSC-303728
Database identifiers
- CAS
88855-24-7- PubChem CID
- 327679
- DTXSID
DTXSID30316469
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
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Compound notes
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