Basic information
- CAS
1900-35-2- Standard SMILES
CC1=CC(C)C(=O)N(CC(C)[NH+]2CCCC2)C(C)=C1.[Cl-]- InChIKey
ZUISNHWTLHLLDR-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.1811912
Names & identifiers
- Preferred name
- 2H-Azepin-2-one, 1,3-dihydro-1-((2-methyl-2-(1-pyrrolidinyl)ethyl)-3,5,7-trimethyl-, hydrochloride
- IUPAC
- 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride
Names & synonyms
1900-35-22H-Azepin-2-one, 1,3-dihydro-1-((2-methyl-2-(1-pyrrolidinyl)ethyl)-3,5,7-trimethyl-, hydrochlorideRefChem:268422
Database identifiers
- CAS
1900-35-2- PubChem CID
- 15919
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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