3-Propyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
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Basic information
- CAS
603067-09-0- Standard SMILES
CCCc1noc2c1CCN2- InChIKey
ZSLWXPKNNRSNOX-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.09496301
Names & identifiers
- Preferred name
- 3-Propyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
- IUPAC
- 3-propyl-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
- English name
- 4H-Pyrrolo[3,2-d]isoxazole,5,6-dihydro-3-propyl-(9CI)
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.19
Names & synonyms
3-Propyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole603067-09-04H-Pyrrolo[3,2-d]isoxazole, 5,6-dihydro-3-propyl-4H-Pyrrolo[3,2-d]isoxazole,5,6-dihydro-3-propyl-(9CI)
Database identifiers
- CAS
603067-09-0- PubChem CID
- 5168744
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
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Compound notes
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