Basic information
- Standard SMILES
CC(C#Cc1ccc(C=Cc2cccnc2)o1)N(O)C(N)=O- InChIKey
ADEAHCXGTJLHFC-UHFFFAOYSA-N- Molecular formula
- C16H15N3O3
- Average molar mass
- 297.31 g/mol
Names & identifiers
- Preferred name
- N-[3-(5-{2-[3-pyridyl]ethenyl}fur-2-yl)-1-methyl-2-propynyl]-N-hydroxyurea
- IUPAC
- 1-hydroxy-1-[4-[5-(2-pyridin-3-ylethenyl)furan-2-yl]but-3-yn-2-yl]urea
Names & synonyms
SCHEMBL8304204ADEAHCXGTJLHFC-UHFFFAOYSA-NN-[3-(5-{2-[3-pyridyl]ethenyl}fur-2-yl)-1-methyl-2-propynyl]-N-hydroxyurea
Database identifiers
- PubChem CID
- 53636693
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 480
Related reactions
1 records
Compound notes
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