4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile
Basic information
- CAS
468718-25-4- Standard SMILES
CN(C)C=Cc1ccc(C#N)cc1[N+](=O)[O-]- InChIKey
YVOLPLGZGYDRLU-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 4-[2-(Dimethylamino)ethenyl]-3-nitrobenzonitrile
- IUPAC
- 4-[2-(dimethylamino)ethenyl]-3-nitrobenzonitrile
Names & synonyms
4-[2-(dimethylamino)ethenyl]-3-nitrobenzonitrileSCHEMBL1799897YVOLPLGZGYDRLU-UHFFFAOYSA-NDTXSID601237202468718-25-44-(2-dimethylamino-vinyl)-3-nitro-benzonitrile
Database identifiers
- CAS
468718-25-4- PubChem CID
- 894141
- DTXSID
DTXSID601237202
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
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Related reactions
4 records
Compound notes
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