[(E)-prop-2-ynylideneamino]urea
Basic information
- CAS
69895-77-8- Standard SMILES
C#C/C=N/NC(N)=O- InChIKey
LWIFRAZWNIVAOA-ZZXKWVIFSA-N- Molecular formula
- C4H5N3O
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.04326179
Names & identifiers
- Preferred name
- [(E)-prop-2-ynylideneamino]urea
- IUPAC
- [(E)-prop-2-ynylideneamino]urea
Names & synonyms
NSC105558AKOS006337582NSC-105558
Database identifiers
- CAS
69895-77-8- PubChem CID
- 9568420
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…