Basic information
- CAS
19282-98-5- Standard SMILES
CC1(c2ccccc2)NC(=O)N(CCC#N)C1=O- InChIKey
DWVGGEAHUXUKQI-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- 3-(4-Methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanenitrile
- IUPAC
- 3-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanenitrile
Names & synonyms
19282-98-53-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanenitrileDTXSID90302363RefChem:274768DTXCID40253497NSC150481AKOS008716338NSC-150481
Database identifiers
- CAS
19282-98-5- PubChem CID
- 289062
- DTXSID
DTXSID90302363
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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