1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol

C9H15NO — CID 22120933

IUPAC1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol
SMILESOCC1=CC2CCCN2CC1
InChIInChI=1S/C9H15NO/c11-7-8-3-5-10-4-1-2-9(10)6-8/h6,9,11H,1-5,7H2
InChIKeyTZXBZGWDCQHEIP-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.77
Rot. Bonds1

About 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol

1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol (PubChem CID 22120933) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol.

Molecular Properties

Compound Name1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol
PubChem CID22120933
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol
SMILESOCC1=CC2CCCN2CC1
InChIInChI=1S/C9H15NO/c11-7-8-3-5-10-4-1-2-9(10)6-8/h6,9,11H,1-5,7H2
InChIKeyTZXBZGWDCQHEIP-UHFFFAOYSA-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 ≤ 500153.22
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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol?
The IUPAC name of 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol (CID 22120933) is 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol.
What is the SMILES notation for 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol?
The canonical SMILES for 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol is OCC1=CC2CCCN2CC1.
What is the InChIKey of 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol?
The InChIKey is TZXBZGWDCQHEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-7-8-3-5-10-4-1-2-9(10)6-8/h6,9,11H,1-5,7H2.
What are the key properties of 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol?
1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol has a molecular weight of 153.22 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 1,2,3,5,6,8a-hexahydroindolizin-7-ylmethanol is sourced from PubChem (CID 22120933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).