Basic information
- CAS
99188-40-6- Standard SMILES
CC1CC(=O)NC2(C(C)C)CC12- InChIKey
VQBCGZSBXYKRJI-UHFFFAOYSA-N- Molecular formula
- C10H17NO
- Average molar mass
- 167.25 g/mol
- Monoisotopic mass
- 167.13101417
Names & identifiers
- Preferred name
- 5-Methyl-1-propan-2-yl-2-azabicyclo[4.1.0]heptan-3-one
- IUPAC
- 5-methyl-1-propan-2-yl-2-azabicyclo[4.1.0]heptan-3-one
- English name
- 2-Azabicyclo[4.1.0]heptan-3-one,1-isopropyl-5-methyl-(6CI)
- Molecular formula
- C10H17NO
- Molecular weight
- 167.24808
Names & synonyms
(1R,5Ξ)-1-isopropyl-5-methyl-2-aza-norcaran-3-one2-Azabicyclo[4.1.0]heptan-3-one,1-isopropyl-5-methyl-(6CI)
Database identifiers
- CAS
99188-40-6- PubChem CID
- 121227541
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…