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16049-28-8 | Indolo[2,3-a]quinolizine-2-ethanol, β-ethenyl-1,2,3,4,6,7,12,12b-octahydro-, (βR,2S,12bS)-
CAS No: 16049-28-8 Catalog No: AG001RYR MDL No:MFCD26406129
Product Description
Catalog Number:
AG001RYR
Chemical Name:
Indolo[2,3-a]quinolizine-2-ethanol, β-ethenyl-1,2,3,4,6,7,12,12b-octahydro-, (βR,2S,12bS)-
CAS Number:
16049-28-8
Molecular Formula:
C19H24N2O
Molecular Weight:
296.4067
MDL Number:
MFCD26406129
IUPAC Name:
(2R)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol
InChI:
InChI=1S/C19H24N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1
InChI Key:
RYMNVEAAYOFGCI-DEYYWGMASA-N
SMILES:
OC[C@@H]([C@H]1CCN2[C@@H](C1)c1[nH]c3c(c1CC2)cccc3)C=C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
296.189g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.414g/mol
Monoisotopic Mass:
296.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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