Basic information
- Standard SMILES
COC(=O)C1(N2Cc3ccc(-c4ccc(N)cc4)cc3C2=O)CCCC1- InChIKey
LMWBLOZFRYYUDF-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.16304257
Names & identifiers
- Preferred name
- Methyl 1-(6-(4-aminophenyl)-1-oxoisoindolin-2-yl)cyclopentanecarboxylate
- IUPAC
- methyl 1-[5-(4-aminophenyl)-3-oxo-1H-isoindol-2-yl]cyclopentane-1-carboxylate
Names & synonyms
SCHEMBL2198291LMWBLOZFRYYUDF-UHFFFAOYSA-NMethyl 1-(6-(4-aminophenyl)-1-oxoisoindolin-2-yl)cyclopentanecarboxylate
Database identifiers
- PubChem CID
- 67314048
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 549
Related reactions
5 records
Compound notes
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