chempirical

Scopine

C8H13NO2CAS 498-45-3155.20 g/mol

Open in Covalent MOL file
NHOO
AlcoholTertiary Amine

Properties

Molecular formula
C8H13NO2
Molar mass
155.20 g/mol
Exact mass
155.0946 Da
Melting point
75–76 °C
logP
-0.41Crippen estimate
Polar surface area
36.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
498-45-3
SMILES
CN1[C@@H]2C[C@@H](O)C[C@H]1[C@@H]1O[C@@H]12
InChIKey
FIMXSEMBHGTNKT-RZVDLVGDNA-N
InChI
InChI=1/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4-,5-,6+,7-,8+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, (1α,2β,4β,5α,7β)-
  • 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-
  • (1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
  • Scopanol
  • 6,7-Epoxytropine
  • Scopin

Work with Scopine

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

Same formula

Acetylcaprolactam1888-91-1 4-Acetamidocyclohexanone27514-08-5 (±)-6β-Hydroxytropinone5932-53-6 Arecoline63-75-2 Bemegride64-65-3

Elsewhere

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