3,5,6,7-Tetrahydro-s-indacen-1(2H)-one O-[2-(dimethylamino)ethyl]oxime

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Basic information

CAS: 69716-06-9
Standard SMILES: CN(C)CCON=C1CCc2cc3c(cc21)CCC3
InChIKey: IUXNDJNNCBHAEL-UHFFFAOYSA-N
Molecular formula: C16H22N2O
Average molar mass: 258.36 g/mol
Monoisotopic mass: 258.17321333

Names & identifiers

Preferred name: 3,5,6,7-Tetrahydro-s-indacen-1(2H)-one O-[2-(dimethylamino)ethyl]oxime
IUPAC: N,N-dimethyl-2-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylideneamino)oxyethanamine

Names & synonyms

DTXSID3011537283,5,6,7-Tetrahydro-s-indacen-1(2H)-one O-[2-(dimethylamino)ethyl]oxime69716-06-9N,N-Dimethyl-2-{[(3,5,6,7-tetrahydro-s-indacen-1(2H)-ylidene)amino]oxy}ethan-1-amine

Database identifiers

CAS: 69716-06-9
PubChem CID: 3046166
DTXSID: DTXSID301153728

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 24.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 340

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