2-(2-methylpropyl)-4H-1,3,4-oxadiazin-5(6H)-one
Basic information
- Standard SMILES
CC(C)CC1=NNC(=O)CO1- InChIKey
RPIZUBOYXYOZNQ-UHFFFAOYSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
Names & identifiers
- Preferred name
- 2-(2-methylpropyl)-4H-1,3,4-oxadiazin-5(6H)-one
- IUPAC
- 2-(2-methylpropyl)-4H-1,3,4-oxadiazin-5-one
Names & synonyms
SCHEMBL1082181RPIZUBOYXYOZNQ-UHFFFAOYSA-N2-(2-methylpropyl)-4H-1,3,4-oxadiazin-5(6H)-one
Database identifiers
- PubChem CID
- 58136558
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Related reactions
1 records
Compound notes
Loading…