1,5,8,8a-tetrahydroindolizine

C8H11N — CID 142632613

IUPAC1,5,8,8a-tetrahydroindolizine
SMILESC1=CCN2C=CCC2C1
InChIInChI=1S/C8H11N/c1-2-6-9-7-3-5-8(9)4-1/h1-3,7-8H,4-6H2
InChIKeyHEMJPBWKUZITNZ-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.53
Rot. Bonds

About 1,5,8,8a-tetrahydroindolizine

1,5,8,8a-tetrahydroindolizine (PubChem CID 142632613) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1,5,8,8a-tetrahydroindolizine.

Molecular Properties

Compound Name1,5,8,8a-tetrahydroindolizine
PubChem CID142632613
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1,5,8,8a-tetrahydroindolizine
SMILESC1=CCN2C=CCC2C1
InChIInChI=1S/C8H11N/c1-2-6-9-7-3-5-8(9)4-1/h1-3,7-8H,4-6H2
InChIKeyHEMJPBWKUZITNZ-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,5,8,8a-tetrahydroindolizine?
The IUPAC name of 1,5,8,8a-tetrahydroindolizine (CID 142632613) is 1,5,8,8a-tetrahydroindolizine.
What is the SMILES notation for 1,5,8,8a-tetrahydroindolizine?
The canonical SMILES for 1,5,8,8a-tetrahydroindolizine is C1=CCN2C=CCC2C1.
What is the InChIKey of 1,5,8,8a-tetrahydroindolizine?
The InChIKey is HEMJPBWKUZITNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-6-9-7-3-5-8(9)4-1/h1-3,7-8H,4-6H2.
What are the key properties of 1,5,8,8a-tetrahydroindolizine?
1,5,8,8a-tetrahydroindolizine has a molecular weight of 121.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8,8a-tetrahydroindolizine is sourced from PubChem (CID 142632613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).