Basic information
- CAS
5442-53-5- Standard SMILES
CCCCC(C#N)C(=O)NC(N)=O- InChIKey
HURIVQHDHYOSBV-UHFFFAOYSA-N- Molecular formula
- C8H13N3O2
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.10077667
Names & identifiers
- Preferred name
- N-(2-Cyanohexanoyl)urea
- IUPAC
- N-carbamoyl-2-cyanohexanamide
Names & synonyms
N-(2-Cyanohexanoyl)urea5442-53-5NSC12217NSC 12217N-carbamoyl-2-cyano-hexanamideNSC-12217DS-012027
Database identifiers
- CAS
5442-53-5- PubChem CID
- 224014
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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