2H-Isoxazolo[2,3-a]pyridine, 2-butylhexahydro-
Basic information
- CAS
103763-31-1- Standard SMILES
CCCCC1CC2CCCCN2O1- InChIKey
FTFWBKLYVBXCTR-UHFFFAOYSA-N- Molecular formula
- C11H21NO
- Average molar mass
- 183.29 g/mol
- Monoisotopic mass
- 183.16231429
Names & identifiers
- Preferred name
- 2H-Isoxazolo[2,3-a]pyridine, 2-butylhexahydro-
- IUPAC
- 2-butyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
Names & synonyms
103763-31-12-Butylhexahydro-2H-isoxazolo[2,3-a]pyridine2H-Isoxazolo[2,3-a]pyridine, 2-butylhexahydro-NSC340530DTXSID10319150NSC-3405302-Butylhexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
Database identifiers
- CAS
103763-31-1- PubChem CID
- 334663
- DTXSID
DTXSID10319150
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
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Compound notes
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