Basic information
- CAS
58640-84-9- Standard SMILES
CCC1CN(CC2CC2)C2C(=O)c3ccc(O)cc3C1C2C- InChIKey
MOXLMXQSFOOZDO-UHFFFAOYSA-N- Molecular formula
- C19H25NO2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.18852904
Names & identifiers
- Preferred name
- 3-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one
- IUPAC
- 10-(cyclopropylmethyl)-12-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
- English name
- Ethylketocyclazocine
- Molecular formula
- C19H25NO2
- Molecular weight
- 299.4073
Names & synonyms
CHEMBL713013-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one10-(Cyclopropylmethyl)-12-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-oneGTPL1602(-)-EKCDTXSID70974183BDBM5001723258640-84-9PD051992L024009Q27077242(1R,9S)-10-(Cyclopropylmethyl)-12-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
Show more names
EkcEthylketocyclazocine
3-(cyclopropylmethyl)-5-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2,6-methano-3-benzazocin-1(2H)-one
Database identifiers
- CAS
58640-84-9- PubChem CID
- 42800
- DTXSID
DTXSID70974183
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
浙江物问生物科技有限公司—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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