3-(tert-butylamino)-2H-furan-5-one

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Basic information

CAS: 54494-75-6
Standard SMILES: CC(C)(C)NC1=CC(=O)OC1
InChIKey: FMUZZZICGRULSD-UHFFFAOYSA-N
Molecular formula: C8H13NO2
Average molar mass: 155.19 g/mol
Monoisotopic mass: 155.09462866

Names & identifiers

Preferred name: 3-(tert-butylamino)-2H-furan-5-one
IUPAC: 3-(tert-butylamino)-2H-furan-5-one

Names & synonyms

54494-75-64-(tert-Butylamino)furan-2(5H)-one4-(tert-butylamino)-2,5-dihydrofuran-2-one4-[(1,1-Dimethylethyl)amino]-2(5H)-furanone3-(tert-butylamino)-2H-furan-5-onestarbld0044554DTXSID301261046MFCD00962342

Database identifiers

CAS: 54494-75-6
PubChem CID: 3753336
DTXSID: DTXSID301261046

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 201

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Compound notes

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