(2E)-2-[4-(2-oxo-5-pentyltetrahydrofuran-3-yl)butan-2-ylidene]hydrazinecarboxamide

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Basic information

CAS: 371226-45-8
Standard SMILES: CCCCCC1CC(CC/C(C)=N/NC(N)=O)C(=O)O1
InChIKey: ZELHUNXPAOWFKO-MHWRWJLKSA-N
Molecular formula: C14H25N3O3
Average molar mass: 283.37 g/mol
Monoisotopic mass: 283.18959167

Names & identifiers

Preferred name: (2E)-2-[4-(2-oxo-5-pentyltetrahydrofuran-3-yl)butan-2-ylidene]hydrazinecarboxamide
IUPAC: [(E)-4-(2-oxo-5-pentyloxolan-3-yl)butan-2-ylideneamino]urea

Names & synonyms

371226-45-8MLS001047417CHEMBL3214621DTXSID801327801STK699068AKOS005521609(2E)-2-[4-(2-oxo-5-pentyltetrahydrofuran-3-yl)butan-2-ylidene]hydrazinecarboxamideSMR000425452[(E)-4-(2-oxo-5-pentyloxolan-3-yl)butan-2-ylideneamino]urea(2E)-2-[4-(2-Oxo-5-pentyloxolan-3-yl)butan-2-ylidene]hydrazine-1-carboxamide(E)-2-(4-(2-oxo-5-pentyltetrahydrofuran-3-yl)butan-2-ylidene)hydrazinecarboxamide

Database identifiers

CAS: 371226-45-8
PubChem CID: 9633396
DTXSID: DTXSID801327801
ChEMBL: CHEMBL3214621

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 93.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 369

Experimental & physicochemical properties

Solubility30.6 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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