8-(Phenoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-one

HCID 429591

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Basic information

CAS: 16641-72-8
Standard SMILES: O=C1CC2CCC(C1)N2C(=O)Oc1ccccc1
InChIKey: GQLAOHBSJQCLON-UHFFFAOYSA-N
Molecular formula: C14H15NO3
Average molar mass: 245.27 g/mol
Monoisotopic mass: 245.10519334

Names & identifiers

Preferred name: 8-(Phenoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-one
IUPAC: phenyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

Names & synonyms

8-(Phenoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-one16641-72-8NSC259716phenyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylateSCHEMBL5878652DTXSID40330459GQLAOHBSJQCLON-UHFFFAOYSA-NAKOS015901219NSC-259716

Database identifiers

CAS: 16641-72-8
PubChem CID: 429591
DTXSID: DTXSID40330459

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 333

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