13,14-Didehydromatridin-15-one

C₁₅H₂₄N₂O₂CAS 145572-44-7264.37 g/mol

Open in Covalent MOL file

Alkene Amide Lactam Tertiary amine

Properties

Molecular formula: C₁₅H₂₄N₂O₂
Molar mass: 264.37 g/mol
Exact mass: 264.1838 Da
logP: 0.82Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0
Stereocentres: S, R, R, Sin SMILES atom order

Identifiers

CAS number

145572-44-7

SMILES

C1C[C@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2N(C1)CCC4.O

InChIKey

FBOREIYHDGYUFA-PUILLJIJSA-N

InChI

InChI=1S/C15H22N2O.H2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14;/h1,7,11-13,15H,2-6,8-10H2;1H2/t11-,12+,13+,15-;/m0./s1

Weigh it out

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

Work with 13,14-Didehydromatridin-15-one

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

(-)-Sophocarpine6483-15-493 % similar Matrine519-02-851 % similar (7As,13ar,13br,13cr)-dodecahydro-1H,5H,10H-dipyrido[2,1-F:3′,2′,1′-ij][1,6]naphthyridin-10-one641-39-451 % similar (-)-Sophoridine6882-68-451 % similar

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

Same formula

Oxymatrine16837-52-8 2-Methyl-3-nitro-N,N-dipropylbenzeneethanamine91374-23-1 Amethocaine94-24-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook