1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehyde
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Basic information
- CAS
436087-09-1- Standard SMILES
O=Cc1cn(CC(=O)N2CCCCCC2)c2ccccc12- InChIKey
UMAXGKQIHUWZFH-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2
- Average molar mass
- 284.35 g/mol
- Monoisotopic mass
- 284.15247789
Names & identifiers
- Preferred name
- 1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehyde
- IUPAC
- 1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carbaldehyde
- English name
- 1-(2-AZEPAN-1-YL-2-OXO-ETHYL)-1H-INDOLE-3-CARBALDEHYDE
- Molecular formula
- C17H20N2O2
- Molecular weight
- 284.35
Names & synonyms
436087-09-11-(2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl)-1H-indole-3-carboxaldehyde1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehydeRefChem:2230811-[2-(azepan-1-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde1-(2-(Azepan-1-yl)-2-oxoethyl)-1H-indole-3-carbaldehyde1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carbaldehyde1-(2-Azepan-1-yl-2-oxo-ethyl)-1H-indole-3-carbaldehydeCambridge id 7047654Oprea1_590279MLS000678246CHEMBL2133921
Show more names
1H-Indole-3-carboxaldehyde, 1-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-
DTXSID30351911HMS2744F18BBL025781MFCD03306331STK728819AKOS000100604SMR000285388VS-08093
Database identifiers
- CAS
436087-09-1- PubChem CID
- 713480
- DTXSID
DTXSID30351911- ChEMBL
CHEMBL2133921
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Solubility>42.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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