chempirical

Huperzine A

C15H18N2OCAS 102518-79-6242.32 g/mol

Open in Covalent MOL file
NH2OHN
AlcoholPrimary Amine

Properties

Molecular formula
C15H18N2O
Molar mass
242.32 g/mol
Exact mass
242.1419 Da
Melting point
224–226 °C
logP
2.41Crippen estimate
Polar surface area
59.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
102518-79-6
SMILES
C/C=C1C2C=C(C)C[C@]1(N)c1ccc(O)nc1C2
InChIKey
ZRJBHWIHUMBLCN-JYXJEATCSA-N
InChI
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10?,15-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • 5,9-Methanocycloocta[b]pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11E)-
  • 5,9-Methanocycloocta[b]pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, [5R-(5α,9β,11E)]-
  • Selagine
  • (5R,9R,11E)-5-Amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-5,9-methanocycloocta[b]pyridin-2(1H)-one
  • (-)-Huperzine A
  • (-)-Selagine
  • Kimpukan A
  • Hupzine A
  • Hup A
  • Huperzine

Work with Huperzine A

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

(11E)-5-Amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-5,9-methanocycloocta[B]pyridin-2(1H)-one120786-18-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook