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Basic information
- Standard SMILES
CC(CC#N)c1cc[nH]c1- InChIKey
AJAHNSJPABNRHB-UHFFFAOYSA-N- Molecular formula
- C8H10N2
- Average molar mass
- 134.18 g/mol
- Monoisotopic mass
- 134.08439833
Names & identifiers
- Preferred name
- 3-(1H-pyrrol-3-yl)butanenitrile
- IUPAC
- 3-(1H-pyrrol-3-yl)butanenitrile
Database identifiers
- PubChem CID
- 255658
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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