6-Morpholin-4-ylhexa-3,5-diyn-2-one
Basic information
- CAS
80487-55-4- Standard SMILES
CC(=O)C#CC#CN1CCOCC1- InChIKey
PQSCQJYZZTYSNJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 6-Morpholin-4-ylhexa-3,5-diyn-2-one
- IUPAC
- 6-morpholin-4-ylhexa-3,5-diyn-2-one
Names & synonyms
6-morpholin-4-ylhexa-3,5-diyn-2-one3,5-hexadiyn-2-one, 6-(4-morpholinyl)-80487-55-4DTXSID30348725RefChem:309140DTXCID20299797InChI=1/C10H11NO2/c1-10(12)4-2-3-5-11-6-8-13-9-7-11/h6-9H2,1H6-(MORPHOLIN-4-YL)HEXA-3,5-DIYN-2-ONE
Database identifiers
- CAS
80487-55-4- PubChem CID
- 640361
- DTXSID
DTXSID30348725- Nikkaji
- J1.540.699B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…