2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol

C9H15NO — CID 155820903

IUPAC2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol
SMILESOCC12CC=CCN1CCC2
InChIInChI=1S/C9H15NO/c11-8-9-4-1-2-6-10(9)7-3-5-9/h1-2,11H,3-8H2
InChIKeyDKAGZYFGEFYFHO-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.77
Rot. Bonds1

About 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol

2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol (PubChem CID 155820903) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol.

Molecular Properties

Compound Name2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol
PubChem CID155820903
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol
SMILESOCC12CC=CCN1CCC2
InChIInChI=1S/C9H15NO/c11-8-9-4-1-2-6-10(9)7-3-5-9/h1-2,11H,3-8H2
InChIKeyDKAGZYFGEFYFHO-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 ≤ 500153.23
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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Frequently Asked Questions

What is the IUPAC name of 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol?
The IUPAC name of 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol (CID 155820903) is 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol.
What is the SMILES notation for 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol?
The canonical SMILES for 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol is OCC12CC=CCN1CCC2.
What is the InChIKey of 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol?
The InChIKey is DKAGZYFGEFYFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-8-9-4-1-2-6-10(9)7-3-5-9/h1-2,11H,3-8H2.
What are the key properties of 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol?
2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol 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 2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethanol is sourced from PubChem (CID 155820903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).