4-(3-Aminopropyl)-5-methylisoxazol-3(2H)-one
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Basic information
- CAS
65202-88-2- Standard SMILES
Cc1o[nH]c(=O)c1CCCN- InChIKey
FWKKBWHBFIFFGN-UHFFFAOYSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
Names & identifiers
- Preferred name
- 4-(3-Aminopropyl)-5-methylisoxazol-3(2H)-one
- IUPAC
- 4-(3-aminopropyl)-5-methyl-1,2-oxazol-3-one
- English name
- 3(2H)-Isoxazolone,4-(3-aminopropyl)-5-methyl-(9CI)
- Molecular formula
- C7H12N2O2
- Molecular weight
- 156.18
Names & synonyms
65202-88-24-(3-Aminopropyl)-5-methylisoxazol-3(2H)-oneSCHEMBL9014849DB-2713663(2H)-Isoxazolone, 4-(3-aminopropyl)-5-methyl-3(2H)-Isoxazolone,4-(3-aminopropyl)-5-methyl-(9CI)
Database identifiers
- CAS
65202-88-2
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
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Compound notes
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