Basic information
- CAS
88513-60-4- Standard SMILES
C#CCCCCC1=CC2CCCC2C(=O)N1- InChIKey
HMHGNLPWUGAZFK-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- 3-(Hex-5-yn-1-yl)-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-1-one
- IUPAC
- 3-hex-5-ynyl-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-1-one
Names & synonyms
88513-60-4SCHEMBL7257645DTXSID706213273-(Hex-5-yn-1-yl)-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-1-one
Database identifiers
- CAS
88513-60-4- PubChem CID
- 21995421
- DTXSID
DTXSID70621327
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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