Methyl 4-((3-formylpyrrolidin-1-yl)methyl)benzoate

HCID 86708239
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Basic information

Standard SMILES
COC(=O)c1ccc(CN2CCC(C=O)C2)cc1
InChIKey
PCGXNPRZFJGYMI-UHFFFAOYSA-N
Molecular formula
C14H17NO3
Average molar mass
247.29 g/mol

Names & identifiers

Preferred name
Methyl 4-((3-formylpyrrolidin-1-yl)methyl)benzoate
IUPAC
methyl 4-[(3-formylpyrrolidin-1-yl)methyl]benzoate

Names & synonyms

SCHEMBL12813875PCGXNPRZFJGYMI-UHFFFAOYSA-Nmethyl 4-((3-formylpyrrolidin-1-yl)methyl)benzoateMethyl 4-[(3-formyl-1-pyrrolidinyl)methyl]benzoate

Database identifiers

PubChem CID
86708239

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
18

Related reactions

4 records
New reaction record

Compound notes

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