3-{2-Methyl-3-(1-pyrrolidinyl)propionyl}-2,1-benzisoxazole hydrochloride
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Basic information
- Standard SMILES
CC(CN1CCCC1)C(=O)c1onc2ccccc12.Cl- InChIKey
PYGHIGNSHGMXQJ-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O2
- Average molar mass
- 294.77 g/mol
Names & identifiers
- Preferred name
- 3-{2-Methyl-3-(1-pyrrolidinyl)propionyl}-2,1-benzisoxazole hydrochloride
- IUPAC
- 1-(2,1-benzoxazol-3-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
Names & synonyms
SCHEMBL8880438PYGHIGNSHGMXQJ-UHFFFAOYSA-N3-{2-methyl-3- (1-pyrrolidinyl) propionyl}-2,1-benzisoxazole hydrochloride3-{2-methyl-3-(1-pyrrolidinyl)propionyl}-2,1-benzisoxazole hydrochloride
Database identifiers
- PubChem CID
- 19976899
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Related reactions
2 records
Compound notes
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