1,2,3,7,8,8a-hexahydroindolizine

C8H13N — CID 19424645

IUPAC1,2,3,7,8,8a-hexahydroindolizine
SMILESC1=CN2CCCC2CC1
InChIInChI=1S/C8H13N/c1-2-6-9-7-3-5-8(9)4-1/h2,6,8H,1,3-5,7H2
InChIKeyJIXOUTNCSAKBPZ-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.76
Rot. Bonds

About 1,2,3,7,8,8a-hexahydroindolizine

1,2,3,7,8,8a-hexahydroindolizine (PubChem CID 19424645) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1,2,3,7,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name1,2,3,7,8,8a-hexahydroindolizine
PubChem CID19424645
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1,2,3,7,8,8a-hexahydroindolizine
SMILESC1=CN2CCCC2CC1
InChIInChI=1S/C8H13N/c1-2-6-9-7-3-5-8(9)4-1/h2,6,8H,1,3-5,7H2
InChIKeyJIXOUTNCSAKBPZ-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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,7,8,8a-hexahydroindolizine?
The IUPAC name of 1,2,3,7,8,8a-hexahydroindolizine (CID 19424645) is 1,2,3,7,8,8a-hexahydroindolizine.
What is the SMILES notation for 1,2,3,7,8,8a-hexahydroindolizine?
The canonical SMILES for 1,2,3,7,8,8a-hexahydroindolizine is C1=CN2CCCC2CC1.
What is the InChIKey of 1,2,3,7,8,8a-hexahydroindolizine?
The InChIKey is JIXOUTNCSAKBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-6-9-7-3-5-8(9)4-1/h2,6,8H,1,3-5,7H2.
What are the key properties of 1,2,3,7,8,8a-hexahydroindolizine?
1,2,3,7,8,8a-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 1,2,3,7,8,8a-hexahydroindolizine is sourced from PubChem (CID 19424645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).