2-(3-Oxo-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-1h-isoindole-1,3(2h)-dione
Basic information
- CAS
32641-55-7- Standard SMILES
O=C1c2[nH]c3ccccc3c2CC1N1C(=O)c2ccccc2C1=O- InChIKey
WDNNJVLODKBFAB-UHFFFAOYSA-N- Molecular formula
- C19H12N2O3
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.08479225
Names & identifiers
- Preferred name
- 2-(3-Oxo-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-1h-isoindole-1,3(2h)-dione
- IUPAC
- 2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)isoindole-1,3-dione
Names & synonyms
MLS00310629932641-55-7NSC1498452-(3-oxo-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-1h-isoindole-1,3(2h)-dioneCHEMBL3183779DTXSID60302254NSC-149845SMR001821208
Database identifiers
- CAS
32641-55-7- PubChem CID
- 288580
- DTXSID
DTXSID60302254- ChEMBL
CHEMBL3183779
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 579
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Compound notes
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