(1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C₇H₉NO₂CAS 194421-56-2139.15 g/mol

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Properties

Molecular formula: C₇H₉NO₂
Molar mass: 139.15 g/mol
Exact mass: 139.0633 Da
logP: -0.08Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

194421-56-2

SMILES

CC1(C2C1C(=O)NC2=O)C

InChIKey

DRMNZTFLOOSXIN-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO2/c1-7(2)3-4(7)6(10)8-5(3)9/h3-4H,1-2H3,(H,8,9,10)

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Names and synonyms

1 names

6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

Work with (1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione67911-21-144 % similar 5-Methylhydantoin616-03-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methoxy-3-pyridinemethanol112197-16-7 2,6-Pyridinedimethanol1195-59-1 4-Pyridinemethanol,2-methoxy-(9ci)123148-66-3 (5-Methoxypyridin-2-yl)methanol127978-70-5 Ethyl 1-cyanocyclopropanecarboxylate1558-81-2 5-Amino-2-methoxyphenol1687-53-2 Ammonium benzoate1863-63-4 2-Amino-4-methoxyphenol20734-76-3

Elsewhere

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