(6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium

C15H22N+ — CID 102347300

IUPAC(6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium
SMILESC[N+]12CCC[C@H]1CC[C@H](c1ccccc1)C2
InChIInChI=1S/C15H22N/c1-16-11-5-8-15(16)10-9-14(12-16)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/q+1/t14-,15-,16?/m0/s1
InChIKeyJSXNTQZHJWVZHU-KSCSMHSMSA-N
MW216.35 g/mol
LogP3.17
Rot. Bonds1

About (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium

(6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium (PubChem CID 102347300) has the molecular formula C15H22N+ and a molecular weight of 216.35 g/mol. Its IUPAC name is (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium.

Molecular Properties

Compound Name(6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium
PubChem CID102347300
Molecular FormulaC15H22N+
Molecular Weight216.35 g/mol
Exact Mass216.17
IUPAC Name(6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium
SMILESC[N+]12CCC[C@H]1CC[C@H](c1ccccc1)C2
InChIInChI=1S/C15H22N/c1-16-11-5-8-15(16)10-9-14(12-16)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/q+1/t14-,15-,16?/m0/s1
InChIKeyJSXNTQZHJWVZHU-KSCSMHSMSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium?
The IUPAC name of (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium (CID 102347300) is (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium.
What is the SMILES notation for (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium?
The canonical SMILES for (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium is C[N+]12CCC[C@H]1CC[C@H](c1ccccc1)C2.
What is the InChIKey of (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium?
The InChIKey is JSXNTQZHJWVZHU-KSCSMHSMSA-N. The full InChI is InChI=1S/C15H22N/c1-16-11-5-8-15(16)10-9-14(12-16)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/q+1/t14-,15-,16?/m0/s1.
What are the key properties of (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium?
(6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium has a molecular weight of 216.35 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aR)-4-methyl-6-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium is sourced from PubChem (CID 102347300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).