1-Nitrosoindole-3-acetonitrile
Basic information
- CAS
97672-08-7- Standard SMILES
N#CCc1cn(N=O)c2ccccc12- InChIKey
UOOUHGJOQYHONI-UHFFFAOYSA-N- Molecular formula
- C10H7N3O
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.05891186
Overview
induces ornithine decarboxylase activity in rats
Names & identifiers
- Preferred name
- 1-Nitrosoindole-3-acetonitrile
- IUPAC
- 2-(1-nitrosoindol-3-yl)acetonitrile
- English name
- 1-nitrosoindole-3-acetonitrile
- Molecular formula
- C9H5N3O
- Molecular weight
- 0
Names & synonyms
1-Nitrosoindole-3-acetonitrile97672-08-7Nitrosated indole-3-acetonitrile1H-INDOLE-3-ACETONITRILE, 1-NITROSO-0S8432KS6RJ533.292CDTXSID50243122NIANRefChem:76620DTXCID501656132-(1-nitrosoindol-3-yl)acetonitrileCCRIS 7732
Show more names
NITROSATEDINDOLE-3-ACETONITRILE
UNII-0S8432KS6R1-Nitroso-1H-indole-3-acetonitrileAKOS006277373(1-nitroso-1H-indol-3-yl)acetonitrileQ27237181
Database identifiers
- CAS
97672-08-7- PubChem CID
- 57273
- DTXSID
DTXSID50243122- UNII
- 0S8432KS6R
- Nikkaji
- J533.292C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- FDA UNII
- 0 S8432KS6R · 0S8432KS6R
- Comptox DTXSID
- 50243122 · DTXSID50243122
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…