Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-
Basic information
- CAS
101831-99-6- Standard SMILES
O=[N+]([O-])c1ccc2c(CN3CCCCCCC3)c[nH]c2c1- InChIKey
UWLRIMMNQVSKTB-UHFFFAOYSA-N- Molecular formula
- C16H21N3O2
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.16337692
Names & identifiers
- Preferred name
- Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-
- IUPAC
- 3-(azocan-1-ylmethyl)-6-nitro-1H-indole
Names & synonyms
6-Nitro-3-(heptamethyleneiminomethyl)indoleINDOLE, 3-(HEXAHYDRO-1(2H)-AZOCINYLMETHYL)-6-NITRO-3-(Hexahydro-1(2H)-azocinylmethyl)-6-nitroindole101831-99-6DTXSID40144235RefChem:349255DTXCID70667263-[(Azocan-1-yl)methyl]-6-nitro-1H-indole
Database identifiers
- CAS
101831-99-6- PubChem CID
- 58956
- DTXSID
DTXSID40144235
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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