1-Formyl-4-oxo-2,4,6,7-tetrahydro-pyrrolo[3,4-c]pyridine-5-carboxylic acid tert-butyl ester

HCID 12967142
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCc2c(c[nH]c2C=O)C1=O
InChIKey
ZVCXTWRIVRURJY-UHFFFAOYSA-N
Molecular formula
C13H16N2O4
Average molar mass
264.28 g/mol
Monoisotopic mass
264.111007

Names & identifiers

Preferred name
1-Formyl-4-oxo-2,4,6,7-tetrahydro-pyrrolo[3,4-c]pyridine-5-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 1-formyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-5-carboxylate

Names & synonyms

SCHEMBL6216393ZVCXTWRIVRURJY-UHFFFAOYSA-N1-formyl-4-oxo-2,4,6,7-tetrahydro-pyrrolo[3,4-c]pyridine-5-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
12967142

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
79.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Related reactions

4 records
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Compound notes

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