Basic information
- CAS
57717-00-7- Standard SMILES
CCCCNC(C)=CC(C)=O- InChIKey
RTMIIQLXVWJCJT-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 4-(Butylamino)pent-3-en-2-one
- IUPAC
- 4-(butylamino)pent-3-en-2-one
Names & synonyms
4-(BUTYLAMINO)PENT-3-EN-2-ONE57717-00-7DTXSID20500512RefChem:288657DTXCID10451322SCHEMBL11753268
Database identifiers
- CAS
57717-00-7- PubChem CID
- 12499862
- DTXSID
DTXSID20500512
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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