Basic information
- CAS
13129-70-9- Standard SMILES
O=C1C(=O)N(CN2CCCCCC2)c2ccccc21- InChIKey
AQNYLCPQJCOMMA-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- 1-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione
- IUPAC
- 1-(azepan-1-ylmethyl)indole-2,3-dione
Names & synonyms
13129-70-91-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-2,3-dione1-((Hexahydro-1H-azepin-1-yl)methyl)-1H-indole-2,3-dioneRefChem:2221771-[(Azepan-1-yl)methyl]-1H-indole-2,3-dione1-(azepan-1-ylmethyl)-1H-indole-2,3-dioneAQNYLCPQJCOMMA-UHFFFAOYSA-NDTXSID901200771Indole, 2,3-dihydro-2,3-dioxo-1-(1-azacycloheptylmethyl)-STK215549AKOS0003619711-(azepan-1-ylmethyl)indoline-2,3-dione
Show more names
1-(1-Azepanylmethyl)-1H-indole-2,3-dione1-(1-Azepanylmethyl)-1H-indole-2,3-dione #AF-407/33698010
Database identifiers
- CAS
13129-70-9- PubChem CID
- 574331
- DTXSID
DTXSID901200771
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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