Cyclohexanone,2-[2-(4-pyridinyl)ethyl]-
Basic information
- CAS
28487-17-4- Standard SMILES
O=C1CCCCC1CCc1ccncc1- InChIKey
ZFJZMLITADDWGG-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- Cyclohexanone,2-[2-(4-pyridinyl)ethyl]-
- IUPAC
- 2-(2-pyridin-4-ylethyl)cyclohexan-1-one
Names & synonyms
MLS00260845528487-17-4Cyclohexanone,2-[2-(4-pyridinyl)ethyl]-NSC42786CHEMBL1905595DTXSID30285787HMS3092L15NSC-42786AKOS017983554SMR001527203DS-0007392-[2-(PYRIDIN-4-YL)ETHYL]CYCLOHEXAN-1-ONE
Database identifiers
- CAS
28487-17-4- PubChem CID
- 238441
- DTXSID
DTXSID30285787- ChEMBL
CHEMBL1905595
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…