(3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide
Basic information
- CAS
667427-64-7- Standard SMILES
NNC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2ccccc21- InChIKey
YZVUTLGVCDWYBC-LCYFTJDESA-N- Molecular formula
- C16H19N3O2
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.14772686
Names & identifiers
- Preferred name
- (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide
- IUPAC
- (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide
Names & synonyms
(3Z)-2-oxo-3-(2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidene)propanehydrazide(Z)-3-(2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-ylidene)-2-oxopropanehydrazide(3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide667427-64-7MLS000769782CHEMBL1708330DTXSID101328058HMS2778H20STL238690AKOS025277646SMR000434527
Database identifiers
- CAS
667427-64-7- PubChem CID
- 1870201
- DTXSID
DTXSID101328058- ChEMBL
CHEMBL1708330
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Experimental & physicochemical properties
Solubility27.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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