2,3,5,6,7,8-hexahydroindolizine

C8H13N — CID 12842031

IUPAC2,3,5,6,7,8-hexahydroindolizine
SMILESC1=C2CCCCN2CC1
InChIInChI=1S/C8H13N/c1-2-6-9-7-3-5-8(9)4-1/h5H,1-4,6-7H2
InChIKeyFQQWSUFPEGCZGB-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.76
Rot. Bonds

About 2,3,5,6,7,8-hexahydroindolizine

2,3,5,6,7,8-hexahydroindolizine (PubChem CID 12842031) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydroindolizine.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydroindolizine
PubChem CID12842031
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,3,5,6,7,8-hexahydroindolizine
SMILESC1=C2CCCCN2CC1
InChIInChI=1S/C8H13N/c1-2-6-9-7-3-5-8(9)4-1/h5H,1-4,6-7H2
InChIKeyFQQWSUFPEGCZGB-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5,6,7,8-hexahydroindolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydroindolizine?
The IUPAC name of 2,3,5,6,7,8-hexahydroindolizine (CID 12842031) is 2,3,5,6,7,8-hexahydroindolizine.
What is the SMILES notation for 2,3,5,6,7,8-hexahydroindolizine?
The canonical SMILES for 2,3,5,6,7,8-hexahydroindolizine is C1=C2CCCCN2CC1.
What is the InChIKey of 2,3,5,6,7,8-hexahydroindolizine?
The InChIKey is FQQWSUFPEGCZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-6-9-7-3-5-8(9)4-1/h5H,1-4,6-7H2.
What are the key properties of 2,3,5,6,7,8-hexahydroindolizine?
2,3,5,6,7,8-hexahydroindolizine has a molecular weight of 123.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydroindolizine is sourced from PubChem (CID 12842031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).