Basic information
- CAS
52130-31-1- Standard SMILES
N#Cc1ccc(-c2ccc(C=NN3C(=O)NC(=O)C3O)o2)cc1- InChIKey
JGHPPNAYVJKCEL-UHFFFAOYSA-N- Molecular formula
- C15H10N4O4
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.07020481
Names & identifiers
- Preferred name
- 4-[5-[[(5-Hydroxy-2,4-dioxo-1-imidazolidinyl)imino]methyl]-2-furanyl]benzonitrile
- IUPAC
- 4-[5-[(5-hydroxy-2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]benzonitrile
Names & synonyms
4-[5-[[(5-Hydroxy-2,4-dioxo-1-imidazolidinyl)imino]methyl]-2-furanyl]benzonitrile52130-31-14-(5-(((5-Hydroxy-2,4-dioxo-1-imidazolidinyl)imino)methyl)-2-furanyl)benzonitrileRefChem:288272DTXSID3011326094-(5-{[(5-Hydroxy-2,4-dioxoimidazolidin-1-yl)imino]methyl}furan-2-yl)benzonitrile
Database identifiers
- CAS
52130-31-1- PubChem CID
- 40244
- DTXSID
DTXSID301132609
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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