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

C9H17NO — CID 11019091

IUPAC[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
SMILESOC[C@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C9H17NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKeyDATGBSBEMJWBMW-RKDXNWHRSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds1

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

[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol (PubChem CID 11019091) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol.

Molecular Properties

Compound Name[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
PubChem CID11019091
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
SMILESOC[C@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C9H17NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKeyDATGBSBEMJWBMW-RKDXNWHRSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
The IUPAC name of [(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol (CID 11019091) is [(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol.
What is the SMILES notation for [(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
The canonical SMILES for [(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol is OC[C@H]1CCCN2CCC[C@H]12.
What is the InChIKey of [(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
The InChIKey is DATGBSBEMJWBMW-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h8-9,11H,1-7H2/t8-,9-/m1/s1.
What are the key properties of [(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol?
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol is sourced from PubChem (CID 11019091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).