chempirical

2-Carbomethoxytropinone

C10H15NO3CAS 36127-17-0197.23 g/mol

Open in Covalent MOL file
OOON
EsterKetoneTertiary amine

Properties

Molecular formula
C10H15NO3
Molar mass
197.23 g/mol
Exact mass
197.1052 Da
Melting point
104 °C
Boiling point
92–95 °C (at 0.3 Torr)
logP
0.21Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

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
36127-17-0
SMILES
COC(=O)C1C(=O)CC2CCC1N2C
InChIKey
WXEMSGQRTGSYOG-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3

Weigh it out

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Names and synonyms

7 names
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-oxo-, methyl ester
  • 1αH,5αH-Tropane-2-carboxylic acid, 3-oxo-, methyl ester
  • 2-Tropanecarboxylic acid, 3-oxo-, methyl ester
  • 2-(Methoxycarbonyl)-3-tropanone
  • 2-(Carbomethoxy)-3-tropinone
  • NSC 72911
  • 8-Methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

Work with 2-Carbomethoxytropinone

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

Win 3542850370-56-443 % similar Dimethyl succinylsuccinate6289-46-942 % similar Cocaine50-36-241 % similar Tropinone532-24-139 % similar Methyl 2-oxocyclopentanecarboxylate10472-24-938 % similar Methyl N-methylisonipecotinate1690-75-138 % similar Methyl cyclopropanecarboxylate2868-37-338 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-238 % similar

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

Same formula

3,4,5-Trimethoxybenzylamine18638-99-8 Vinyl acetate-vinylpyrrolidone copolymer25086-89-9 N-Carbethoxy-4-tropinone32499-64-2 Desglymidodrine3600-87-1

Elsewhere

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