5-Oxo-2(5H)-isoxazolepropanoic acid; Nitrile
AlkaPlorer ID: AK048460
Synonym: 5-Oxo-2(5H)-isoxazolepropanenitrile, 2-(2-Cyanoethyl)-3-isoxazolin-5-one
IUPAC Name: 3-(5-oxo-1,2-oxazol-2-yl)propanenitrile
Structure
SMILES: N#CCCN1C=CC(=O)O1
InChI: InChI=1S/C6H6N2O2/c7-3-1-4-8-5-2-6(9)10-8/h2,5H,1,4H2
InChIKey: DNSSEQBYSHSUGR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pisum sativum | Pisum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lathyrus odoratus | Lathyrus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 138.12599999999998
TPSA？: 58.93
MolLogP？: 0.3549799999999999
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|