3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one
Basic information
- CAS
1676-50-2- Standard SMILES
CC1=CC(C)C(=O)N(CC(C)N2CCCC2)C(C)=C1- InChIKey
SJFGMTIVTZSZIV-UHFFFAOYSA-N- Molecular formula
- C16H26N2O
- Average molar mass
- 262.39 g/mol
- Monoisotopic mass
- 262.20451346
Names & identifiers
- Preferred name
- 3,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one
- IUPAC
- 3,5,7-trimethyl-1-(2-pyrrolidin-1-ylpropyl)-3H-azepin-2-one
- English name
- 2H-Azepin-2-one,1,3-dihydro-3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl]-
- Molecular formula
- C16H26N2O
- Molecular weight
- 262.39044
Names & synonyms
1676-50-2NSC1353633,5,7-Trimethyl-1-(2-(1-pyrrolidinyl)propyl)-1,3-dihydro-2H-azepin-2-one3,5,7-trimethyl-1-(2-pyrrolidin-1-ylpropyl)-3H-azepin-2-one3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl]-1,3-dihydro-2H-azepin-2-oneNSC 135363DTXSID40937366AKOS024321400NSC-1353633,5,7-Trimethyl-1-[2-(pyrrolidin-1-yl)propyl]-1,3-dihydro-2H-azepin-2-one2H-Azepin-2-one,1,3-dihydro-3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl]-
Database identifiers
- CAS
1676-50-2- PubChem CID
- 15920
- DTXSID
DTXSID40937366- Nikkaji
- J383.812I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 405
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…