chempirical

Lysergol

C16H18N2OCAS 602-85-7254.33 g/mol

Open in Covalent MOL file
NHONH
AlcoholAlkeneTertiary amine

Properties

Molecular formula
C16H18N2O
Molar mass
254.33 g/mol
Exact mass
254.1419 Da
Melting point
253–255 °C
logP
2.03Crippen estimate
Polar surface area
39.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
602-85-7
SMILES
CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey
BIXJFIJYBLJTMK-MEBBXXQBSA-N
InChI
InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • Ergoline-8-methanol, 9,10-didehydro-6-methyl-, (8β)-
  • Ergoline-8β-methanol, 9,10-didehydro-6-methyl-
  • Indolo[4,3-fg]quinoline, ergoline-8-methanol deriv.
  • (8β)-9,10-Didehydro-6-methylergoline-8-methanol
  • NSC 196867
  • (+)-Lysergol

Work with Lysergol

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

(+)-Lysergic acid diethylamide50-37-361 % similar Ergotamine tartrate379-79-338 % similar L-Tryptophanol2899-29-832 % similar N,N-Diisopropyl-4-hydroxytryptamine132328-45-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook