Basic information
- CAS
717832-63-8- Standard SMILES
CCCCCc1ccc2c(c1)C(=O)C(=O)N2- InChIKey
JERLBLNXDQMBCQ-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 1H-Indole-2,3-dione, 5-pentyl-
- IUPAC
- 5-pentyl-1H-indole-2,3-dione
- English name
- 1H-Indole-2,3-dione, 5-pentyl- (9CI)
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
1H-Indole-2,3-dione, 5-pentyl-5-n-pentylisatineSCHEMBL51330445-Pentyl-1H-indole-2,3-dione #717832-63-8DB-2793291H-Indole-2,3-dione, 5-pentyl- (9CI)
Database identifiers
- CAS
717832-63-8- PubChem CID
- 583530
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 9.91 · 9.91±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
2 records
Compound notes
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