[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol

C9H15NO — CID 53483657

IUPAC[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol
SMILESOCC1=CCCN2CCC[C@@H]12
InChIInChI=1S/C9H15NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h3,9,11H,1-2,4-7H2/t9-/m0/s1
InChIKeySOQBKGOROSTXTL-VIFPVBQESA-N
MW153.23 g/mol
LogP0.77
Rot. Bonds1

About [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol

[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol (PubChem CID 53483657) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol.

Molecular Properties

Compound Name[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol
PubChem CID53483657
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol
SMILESOCC1=CCCN2CCC[C@@H]12
InChIInChI=1S/C9H15NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h3,9,11H,1-2,4-7H2/t9-/m0/s1
InChIKeySOQBKGOROSTXTL-VIFPVBQESA-N
XLogP0.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizine-7-methanol
CID 164663
5,6,7,8-Tetrahydro-3H-pyrrolizin-1-ylmethanol
CID 186156
(6S,7aS)-1-methyl-2,3,5,6,7,7a-hexahydroindol-6-ol
CID 118709205
(8-Methyl-3,5,6,7-tetrahydropyrrolizin-1-yl)methanol
CID 331355
1,2,3,5,6,8a-Hexahydroindolizin-8-ylmethanol
CID 11804970
Iqxyzrgpmpafka-uhfffaoysa-
CID 21728066
[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol
CID 130748385
2-[1-(1-Cyclohexenylmethyl) 2-pyrrolidinyl]ethanol
CID 13507086
1,2,3,5,6,8a-Hexahydroindolizine-7-methanol
CID 22120933
7-Methyl-1,2,3,5,8,8a-hexahydroindolizin-2-ol
CID 142154446
1-(1,2,3,5,6,8a-Hexahydroindolizin-8-yl)butan-1-ol
CID 12309416
(1S)-1-[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]butan-1-ol
CID 12309417

Frequently Asked Questions

What is the IUPAC name of [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol?
The IUPAC name of [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol (CID 53483657) is [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol.
What is the SMILES notation for [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol?
The canonical SMILES for [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol is OCC1=CCCN2CCC[C@@H]12.
What is the InChIKey of [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol?
The InChIKey is SOQBKGOROSTXTL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h3,9,11H,1-2,4-7H2/t9-/m0/s1.
What are the key properties of [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol?
[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol has a molecular weight of 153.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol is sourced from PubChem (CID 53483657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).