(8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine

C8H15N — CID 10986225

IUPAC(8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC1CCN2CCC[C@@H]2C1
InChIInChI=1S/C8H15N/c1-2-6-9-7-3-5-8(9)4-1/h8H,1-7H2/t8-/m0/s1
InChIKeyHAJKHJOABGFIGP-QMMMGPOBSA-N
MW125.22 g/mol
LogP1.63
Rot. Bonds

About (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine

(8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 10986225) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID10986225
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC1CCN2CCC[C@@H]2C1
InChIInChI=1S/C8H15N/c1-2-6-9-7-3-5-8(9)4-1/h8H,1-7H2/t8-/m0/s1
InChIKeyHAJKHJOABGFIGP-QMMMGPOBSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 10986225) is (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine is C1CCN2CCC[C@@H]2C1.
What is the InChIKey of (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is HAJKHJOABGFIGP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N/c1-2-6-9-7-3-5-8(9)4-1/h8H,1-7H2/t8-/m0/s1.
What are the key properties of (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine?
(8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 125.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 10986225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).