Basic information
- Standard SMILES
C=CC[C@@H](N=C=O)c1ccc2c(c1)OCO2- InChIKey
GLHDQQUEUNPUQA-SNVBAGLBSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
Names & identifiers
- Preferred name
- (R)-alpha-Allyl-(3,4-methylenedioxy)benzyl isocyanate
- IUPAC
- 5-[(1R)-1-isocyanatobut-3-enyl]-1,3-benzodioxole
Names & synonyms
SCHEMBL7363955GLHDQQUEUNPUQA-SNVBAGLBSA-N(R)-alpha-Allyl-(3,4-methylenedioxy)benzyl isocyanate
Database identifiers
- PubChem CID
- 18655100
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
Related reactions
1 records
Compound notes
Loading…