3,5,6,7,8,8a-hexahydroindolizine

C8H13N — CID 13308887

IUPAC3,5,6,7,8,8a-hexahydroindolizine
SMILESC1=CC2CCCCN2C1
InChIInChI=1S/C8H13N/c1-2-6-9-7-3-5-8(9)4-1/h3,5,8H,1-2,4,6-7H2
InChIKeyZWZQSLQJKCKOIM-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.41
Rot. Bonds

About 3,5,6,7,8,8a-hexahydroindolizine

3,5,6,7,8,8a-hexahydroindolizine (PubChem CID 13308887) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,5,6,7,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name3,5,6,7,8,8a-hexahydroindolizine
PubChem CID13308887
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,5,6,7,8,8a-hexahydroindolizine
SMILESC1=CC2CCCCN2C1
InChIInChI=1S/C8H13N/c1-2-6-9-7-3-5-8(9)4-1/h3,5,8H,1-2,4,6-7H2
InChIKeyZWZQSLQJKCKOIM-UHFFFAOYSA-N
XLogP1.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.41
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 3,5,6,7,8,8a-hexahydroindolizine?
The IUPAC name of 3,5,6,7,8,8a-hexahydroindolizine (CID 13308887) is 3,5,6,7,8,8a-hexahydroindolizine.
What is the SMILES notation for 3,5,6,7,8,8a-hexahydroindolizine?
The canonical SMILES for 3,5,6,7,8,8a-hexahydroindolizine is C1=CC2CCCCN2C1.
What is the InChIKey of 3,5,6,7,8,8a-hexahydroindolizine?
The InChIKey is ZWZQSLQJKCKOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-6-9-7-3-5-8(9)4-1/h3,5,8H,1-2,4,6-7H2.
What are the key properties of 3,5,6,7,8,8a-hexahydroindolizine?
3,5,6,7,8,8a-hexahydroindolizine has a molecular weight of 123.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,8a-hexahydroindolizine is sourced from PubChem (CID 13308887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).