Basic information
- CAS
16607-55-9- Standard SMILES
CN(C)C(C#N)C(=O)c1ccccc1- InChIKey
ZVVFZPOTKCBCCX-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-3-oxo-3-phenylpropanenitrile
- IUPAC
- 2-(dimethylamino)-3-oxo-3-phenylpropanenitrile
Names & synonyms
16607-55-92-(dimethylamino)-3-oxo-3-phenylpropanenitrileNSC61684DTXSID70289507NSC-61684NSC108060NSC-108060
Database identifiers
- CAS
16607-55-9- PubChem CID
- 247282
- DTXSID
DTXSID70289507
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…