(1-Methyl-6-nitro-1H-indol-3-yl)-acetonitrile
Basic information
- Standard SMILES
Cn1cc(CC#N)c2ccc([N+](=O)[O-])cc21- InChIKey
KSXPVMSAYPBSAW-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2
- Average molar mass
- 215.21 g/mol
- Monoisotopic mass
- 215.06947654
Names & identifiers
- Preferred name
- (1-Methyl-6-nitro-1H-indol-3-yl)-acetonitrile
- IUPAC
- 2-(1-methyl-6-nitroindol-3-yl)acetonitrile
Names & synonyms
(1-Methyl-6-nitro-1H-indol-3-yl)-acetonitrileSCHEMBL6947081KSXPVMSAYPBSAW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21999030
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Related reactions
1 records
Compound notes
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