[(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol

C18H23NO — CID 10308180

IUPAC[(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol
SMILESC[C@@]1(CO)CCCN2CCC3=C(Cc4ccccc43)[C@@H]21
InChIInChI=1S/C18H23NO/c1-18(12-20)8-4-9-19-10-7-15-14-6-3-2-5-13(14)11-16(15)17(18)19/h2-3,5-6,17,20H,4,7-12H2,1H3/t17-,18+/m1/s1
InChIKeyJZODTQUXELNFPH-MSOLQXFVSA-N
MW269.39 g/mol
LogP2.86
Rot. Bonds1

About [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol

[(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol (PubChem CID 10308180) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol.

Molecular Properties

Compound Name[(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol
PubChem CID10308180
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol
SMILESC[C@@]1(CO)CCCN2CCC3=C(Cc4ccccc43)[C@@H]21
InChIInChI=1S/C18H23NO/c1-18(12-20)8-4-9-19-10-7-15-14-6-3-2-5-13(14)11-16(15)17(18)19/h2-3,5-6,17,20H,4,7-12H2,1H3/t17-,18+/m1/s1
InChIKeyJZODTQUXELNFPH-MSOLQXFVSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]methanol
CID 10286084
1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyran
CID 86734226
trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium
CID 151821101
methanol;2,3,4,9-tetrahydro-1H-fluorene
CID 172707139
4-[(1S,11bR)-1-nitro-2,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-1-yl]butan-2-one
CID 122215815
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111503818
3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one
CID 161142847
(15S,16R,17R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-16,17-diol
CID 44613905
2-ethyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
CID 118332594
6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[a]indene
CID 14952510
(15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione
CID 44520141
(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol
CID 628233

Frequently Asked Questions

What is the IUPAC name of [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol?
The IUPAC name of [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol (CID 10308180) is [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol.
What is the SMILES notation for [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol?
The canonical SMILES for [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol is C[C@@]1(CO)CCCN2CCC3=C(Cc4ccccc43)[C@@H]21.
What is the InChIKey of [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol?
The InChIKey is JZODTQUXELNFPH-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H23NO/c1-18(12-20)8-4-9-19-10-7-15-14-6-3-2-5-13(14)11-16(15)17(18)19/h2-3,5-6,17,20H,4,7-12H2,1H3/t17-,18+/m1/s1.
What are the key properties of [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol?
[(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol has a molecular weight of 269.39 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indeno[2,1-a]quinolizin-1-yl]methanol is sourced from PubChem (CID 10308180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).