chempirical

Benzyl 5,6-dihydropyridine-1(2H)-carboxylate

C13H15NO2CAS 66207-23-6217.27 g/mol

Open in Covalent MOL file
NOO
AlkeneCarbamate

Properties

Molecular formula
C13H15NO2
Molar mass
217.27 g/mol
Exact mass
217.1103 Da
logP
2.59Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
66207-23-6
SMILES
C1CN(CC=C1)C(=O)OCC2=CC=CC=C2
InChIKey
YWKYQRWNOXUYJK-UHFFFAOYSA-N
InChI
InChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1-5,7-8H,6,9-11H2

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Names and synonyms

1 names
  • N-Cbz-1,2,3,6-tetrahydropyridine

Work with Benzyl 5,6-dihydropyridine-1(2H)-carboxylate

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

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

Same formula

Ethyl 4-(4-cyanophenyl)butanoate131379-33-4 N-Benzoyl-4-perhydroazepinone15923-40-7 7-Ethylamino-4,6-dimethylcoumarin26078-25-1 (-)-Securinine5610-40-2 8-Hydroxyjulolidine-9-carboxaldehyde63149-33-7 Ethyl α-cyano-α-ethylbenzeneacetate718-71-8 4-(4-Oxocyclohexyl)benzamide73204-06-5 1-Boc-indole75400-67-8

Elsewhere

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