4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+)

C25H41NW — CID 162283624

About 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+)

4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+) (PubChem CID 162283624) has the molecular formula C25H41NW and a molecular weight of 539.45 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+).

Molecular Properties

• Compound Name: 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+)
• PubChem CID: 162283624
• Molecular Formula: C25H41NW
• Molecular Weight: 539.45 g/mol
• Exact Mass: 539.27
• IUPAC Name: 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+)
• SMILES: CC.CC.CN1CC=C(C2CCC3[CH-]CCCC32)CC1.[W+2].[c-]1ccccc1
• InChI: InChI=1S/C15H24N.C6H5.2C2H6.W/c1-16-10-8-13(9-11-16)15-7-6-12-4-2-3-5-14(12)15;1-2-4-6-5-3-1;2*1-2;/h4,8,12,14-15H,2-3,5-7,9-11H2,1H3;1-5H;2*1-2H3;/q2*-1;;;+2
• InChIKey: FOAYJWYVTFWOBF-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.45
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+)?

The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+) (CID 162283624) is 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+).

What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+)?

The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+) is CC.CC.CN1CC=C(C2CCC3[CH-]CCCC32)CC1.[W+2].[c-]1ccccc1.

What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+)?

The InChIKey is FOAYJWYVTFWOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N.C6H5.2C2H6.W/c1-16-10-8-13(9-11-16)15-7-6-12-4-2-3-5-14(12)15;1-2-4-6-5-3-1;2*1-2;/h4,8,12,14-15H,2-3,5-7,9-11H2,1H3;1-5H;2*1-2H3;/q2*-1;;;+2.

What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+)?

4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+) has a molecular weight of 539.45 g/mol, XLogP of 6.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-id-1-yl)-1-methyl-3,6-dihydro-2H-pyridine;benzene;ethane;tungsten(2+) is sourced from PubChem (CID 162283624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).