[2-(acetyloxymethyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate

HCID 318890

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Basic information

CAS: 62522-80-9
Standard SMILES: CC(=O)OCc1c(COC(C)=O)c(-c2ccc(Cl)cc2)n2c1CCC2
InChIKey: CTCSNPLKHGGMKP-UHFFFAOYSA-N
Molecular formula: C19H20ClNO4
Average molar mass: 361.8 g/mol
Monoisotopic mass: 361.1080858

Names & identifiers

Preferred name: [2-(acetyloxymethyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
IUPAC: [2-(acetyloxymethyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate

Names & synonyms

62522-80-9NSC259679[2-(acetyloxymethyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetateCHEMBL3246593DTXSID40312619NSC-259679[5-(4-Chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) diacetate

Database identifiers

CAS: 62522-80-9
PubChem CID: 318890
DTXSID: DTXSID40312619
ChEMBL: CHEMBL3246593

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 492

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