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Basic information
- Standard SMILES
CC(CC#N)c1cc[nH]c1.CC(CC#N)c1ccc[nH]1- InChIKey
OGMCTTFYDZWIOS-UHFFFAOYSA-N- Molecular formula
- C16H20N4
- Average molar mass
- 268.36 g/mol
- Monoisotopic mass
- 268.16879665
Names & identifiers
- Preferred name
- 3-(1H-pyrrol-2-yl)butanenitrile;3-(1H-pyrrol-3-yl)butanenitrile
- IUPAC
- 3-(1H-pyrrol-2-yl)butanenitrile;3-(1H-pyrrol-3-yl)butanenitrile
Names & synonyms
NSC81348NSC-81348
Database identifiers
- PubChem CID
- 255657
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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