Basic information
- CAS
28769-50-8- Standard SMILES
C=CCC(=C)C#N- InChIKey
ITVDLIQJPKHJKD-UHFFFAOYSA-N- Molecular formula
- C6H7N
- Average molar mass
- 93.13 g/mol
- Monoisotopic mass
- 93.05784923
Names & identifiers
- Preferred name
- 2-Methylene-4-pentenenitrile
- IUPAC
- 2-methylidenepent-4-enenitrile
- English name
- 2-Methylene-4-pentenenitrile
- Molecular weight
- 0
Names & synonyms
28769-50-82-Methylene-4-pentenenitrile.alpha.-Allylacrylonitrile4-Pentenenitrile, 2-methylene-SCHEMBL2774782-Methylene-4-pentenenitrile #ITVDLIQJPKHJKD-UHFFFAOYSA-NDTXSID501356057
Database identifiers
- CAS
28769-50-8- PubChem CID
- 548671
- DTXSID
DTXSID501356057- Nikkaji
- J113.171K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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