dimethyl 5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate

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Basic information

CAS: 62522-95-6
Standard SMILES: COC(=O)c1c(C(=O)OC)c(-c2ccc(Cl)cc2)n2c1CCC2
InChIKey: UWCZIEWTHJFUKZ-UHFFFAOYSA-N
Molecular formula: C17H16ClNO4
Average molar mass: 333.8 g/mol
Monoisotopic mass: 333.0767857

Names & identifiers

Preferred name: dimethyl 5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
IUPAC: dimethyl 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate

Names & synonyms

62522-95-6dimethyl 5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate6,7-dimethyl 5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylatedimethyl 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylateMFCD041262219J-557SNSC356242MLS000327680CHEMBL1374463DTXSID30320203HMS2423J17AKOS005105320

Show more names

NSC-356242SMR000180664SR-01000309464SR-01000309464-16,7-dimethyl5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate

Database identifiers

CAS: 62522-95-6
PubChem CID: 337612
DTXSID: DTXSID30320203
ChEMBL: CHEMBL1374463

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 464

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Compound notes

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