[(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane

C11H23NO — CID 166102918

IUPAC[(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane
SMILESCC.OC[C@@]12CCCCN1CCC2
InChIInChI=1S/C9H17NO.C2H6/c11-8-9-4-1-2-6-10(9)7-3-5-9;1-2/h11H,1-8H2;1-2H3/t9-;/m0./s1
InChIKeyUFEBXQFTLJZPEE-FVGYRXGTSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds1

About [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane

[(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane (PubChem CID 166102918) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane.

Molecular Properties

Compound Name[(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane
PubChem CID166102918
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane
SMILESCC.OC[C@@]12CCCCN1CCC2
InChIInChI=1S/C9H17NO.C2H6/c11-8-9-4-1-2-6-10(9)7-3-5-9;1-2/h11H,1-8H2;1-2H3/t9-;/m0./s1
InChIKeyUFEBXQFTLJZPEE-FVGYRXGTSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane with MolForge

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Related Compounds

(+)-Tashiromine
CID 11019091
(Octahydroindolizin-8a-yl)methanol
CID 117272748
(-)-Tashiromine
CID 11051891
(7S,8R,8aS)-8-methyl-2,3,5,6,7,8a-hexahydro-1H-indolizine-7,8-diol
CID 11412640
((2R,8AS)-2-fluorohexahydroindolizin-8a(1H)-yl)methanol
CID 163323427
2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 167161624
(7,7-difluorospiro[3,5,6,8-tetrahydro-1H-indolizine-2,1'-cyclopropane]-8a-yl)methanol
CID 169193084
(6,6-difluorospiro[3,5,7,8-tetrahydro-1H-indolizine-2,1'-cyclopropane]-8a-yl)methanol
CID 169193089
[(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 170376409
[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 175977713
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 176943499
4-[(5R,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]butan-1-ol
CID 10536480

Frequently Asked Questions

What is the IUPAC name of [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane?
The IUPAC name of [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane (CID 166102918) is [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane.
What is the SMILES notation for [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane?
The canonical SMILES for [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane is CC.OC[C@@]12CCCCN1CCC2.
What is the InChIKey of [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane?
The InChIKey is UFEBXQFTLJZPEE-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c11-8-9-4-1-2-6-10(9)7-3-5-9;1-2/h11H,1-8H2;1-2H3/t9-;/m0./s1.
What are the key properties of [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane?
[(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane has a molecular weight of 185.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane is sourced from PubChem (CID 166102918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).