Basic information
- Standard SMILES
COC(=O)CC1c2ccccc2CN1C(=O)OC(C)(C)C- InChIKey
MZBJCRNZEDCXLB-UHFFFAOYSA-N- Molecular formula
- C16H21NO4
- Average molar mass
- 291.34 g/mol
- Monoisotopic mass
- 291.14705815
Names & identifiers
- Preferred name
- tert-Butyl 1-(2-methoxy-2-oxoethyl)isoindoline-2-carboxylate
- IUPAC
- tert-butyl 1-(2-methoxy-2-oxoethyl)-1,3-dihydroisoindole-2-carboxylate
Names & synonyms
tert-Butyl 1-(2-methoxy-2-oxoethyl)isoindoline-2-carboxylate444583-12-4tert-butyl 1-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-isoindole-2-carboxylateSCHEMBL4857225MZBJCRNZEDCXLB-UHFFFAOYSA-N1-Methoxycarbonylmethyl-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58777840
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
9 records
Compound notes
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