[(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol

C12H23NO — CID 121003029

IUPAC[(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
SMILESCCC[C@@H]1CC[C@H](CO)[C@@H]2CCCN12
InChIInChI=1S/C12H23NO/c1-2-4-11-7-6-10(9-14)12-5-3-8-13(11)12/h10-12,14H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyYBWSUJGAPDPPDV-UTUOFQBUSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds3

About [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol

[(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol (PubChem CID 121003029) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol.

Molecular Properties

Compound Name[(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
PubChem CID121003029
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
SMILESCCC[C@@H]1CC[C@H](CO)[C@@H]2CCCN12
InChIInChI=1S/C12H23NO/c1-2-4-11-7-6-10(9-14)12-5-3-8-13(11)12/h10-12,14H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyYBWSUJGAPDPPDV-UTUOFQBUSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol with MolForge

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Related Compounds

(+)-Tashiromine
CID 11019091
(-)-Tashiromine
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CID 118709201
(1-methyl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl)methanol
CID 118733448
2-[(5R,6R,8R,8aR)-6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]ethanol
CID 163022801
[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11116286
(6S,7S,8R,8aS)-6-Ethylperhydroindolizine-7,8-diol
CID 71481121
(5-Heptyl-6-methyloctahydroindolizin-8-yl)methanol
CID 172418437
Ecgoninol
CID 71586763
[(3R,5R)-3-(4-fluorocyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol
CID 140444764
[(7S,8S,8aR)-7-(difluoromethyl)-8-methyl-2,3,5,6,7,8a-hexahydro-1H-indolizin-8-yl]methanol
CID 178821240
[(7R,8S,8aR)-7-(difluoromethyl)-8-methyl-2,3,5,6,7,8a-hexahydro-1H-indolizin-8-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
The IUPAC name of [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol (CID 121003029) is [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol.
What is the SMILES notation for [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
The canonical SMILES for [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol is CCC[C@@H]1CC[C@H](CO)[C@@H]2CCCN12.
What is the InChIKey of [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
The InChIKey is YBWSUJGAPDPPDV-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-4-11-7-6-10(9-14)12-5-3-8-13(11)12/h10-12,14H,2-9H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
[(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol is sourced from PubChem (CID 121003029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).