Basic information
- Standard SMILES
CC1CNCCNC1=O.Cl- InChIKey
KVLLPPAKTGBUOV-UHFFFAOYSA-N- Molecular formula
- C6H13ClN2O
- Average molar mass
- 164.63 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-1,4-diazepan-5-one hydrochloride
- IUPAC
- 6-methyl-1,4-diazepan-5-one;hydrochloride
Names & synonyms
6-methyl-1,4-diazepan-5-one hydrochloride955028-65-6SCHEMBL2904557KVLLPPAKTGBUOV-UHFFFAOYSA-N6-methyl-1,4-diazepan-5-onehydrochloride6-methyl-[1,4]diazepan-5-one hydrochlorideG81519(rac)-6-methyl-[1,4]diazepan-5-one hydrochloride
Database identifiers
- PubChem CID
- 68434983
Properties
Computed structural properties
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Related reactions
2 records
Compound notes
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