8-Azabicyclo(3.2.1)octane-3-carboxylic acid, 2-(2-thienyl)-, ethyl ester, hydrochloride, (exo,exo)-

Substructure search Find similar structures

Basic information

CAS: 68322-24-7
Standard SMILES: CCOC(=O)C1CC2CCC(N2)C1c1cccs1.Cl
InChIKey: OLPNWFMLQRQHIE-UHFFFAOYSA-N
Molecular formula: C14H20ClNO2S
Average molar mass: 301.8 g/mol
Monoisotopic mass: 301.0903277

Names & identifiers

Preferred name: 8-Azabicyclo(3.2.1)octane-3-carboxylic acid, 2-(2-thienyl)-, ethyl ester, hydrochloride, (exo,exo)-
IUPAC: ethyl 2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride

Names & synonyms

Ethyl (exo,exo)-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate hydrochloride68322-24-78-Azabicyclo(3.2.1)octane-3-carboxylic acid, 2-(2-thienyl)-, ethyl ester, hydrochloride, (exo,exo)-RefChem:311755DTXSID90987856Ethyl 2-(thiophen-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxylate--hydrogen chloride (1/1)

Database identifiers

CAS: 68322-24-7
PubChem CID: 3051998
DTXSID: DTXSID90987856

Properties

Computed structural properties

Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 323

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…