Basic information
- CAS
54951-27-8- Standard SMILES
O=C1CCCc2ccccc2N1CCN1CCCC1- InChIKey
UFDPCEODINHIQK-UHFFFAOYSA-N- Molecular formula
- C16H22N2O
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.17321333
Names & identifiers
- Preferred name
- 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(1-pyrrolidinyl)ethyl)-
- IUPAC
- 1-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
- English name
- 2,3,4,5-Tetrahydro-1-[2-(1-pyrrolidinyl)ethyl]-1H-1-benzazepin-2-one
- Molecular formula
- C16H22N2O
- Molecular weight
- 258.36
Names & synonyms
BRN 147779454951-27-81H-1-BENZAZEPIN-2-ONE, 2,3,4,5-TETRAHYDRO-1-(2-(1-PYRROLIDINYL)ETHYL)-DTXSID802034715-21-08-00097 (Beilstein Handbook Reference)1H-1-Benzazepin-2-one, 1-(2-(1-pyrrolidinyl)ethyl)-2,3,4,5-tetrahydro-RefChem:237214DTXCID80125962DB-2921291-[2-(Pyrrolidin-1-yl)ethyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one2,3,4,5-Tetrahydro-1-[2-(1-pyrrolidinyl)ethyl ]-1h-1-benzazepin-2-one2,3,4,5-Tetrahydro-1-[2-(1-pyrrolidinyl)ethyl]-1H-1-benzazepin-2-one
Show more names
2H-1-Benzazepin-2-one, 1,3,4,5-tetrahydro-1-[2-(1-pyrrolidinyl)ethyl]-
Database identifiers
- CAS
54951-27-8- PubChem CID
- 41242
- DTXSID
DTXSID80203471- Nikkaji
- J149.242J
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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