Basic information
- Standard SMILES
C#CC(C)NC(=O)CCCCl- InChIKey
LGXAPRGVMIYLSK-UHFFFAOYSA-N- Molecular formula
- C8H12ClNO
- Average molar mass
- 173.64 g/mol
Names & identifiers
- Preferred name
- 3-(gamma-Chlorobutyramido)-1-butyne
- IUPAC
- N-but-3-yn-2-yl-4-chlorobutanamide
Names & synonyms
LGXAPRGVMIYLSK-UHFFFAOYSA-N3-(gamma-chlorobutyramido)-1-butyne
Database identifiers
- PubChem CID
- 21535781
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
Related reactions
2 records
Compound notes
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