Basic information
- Standard SMILES
CC(C)(C)c1ccc2c(c1)NCCNC2=O- InChIKey
NRRZZMKIDHPCAC-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Names & identifiers
- Preferred name
- 8-tert-Butyl-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one
- IUPAC
- 8-tert-butyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
Names & synonyms
SCHEMBL700185NRRZZMKIDHPCAC-UHFFFAOYSA-N8-tert-Butyl-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one
Database identifiers
- PubChem CID
- 59548532
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
4 records
Compound notes
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