1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten

C9H16NW- — CID 59933147

IUPAC1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten
SMILESCC(C)(C)N1CC=[C-]CC1.[W]
InChIInChI=1S/C9H16N.W/c1-9(2,3)10-7-5-4-6-8-10;/h5H,6-8H2,1-3H3;/q-1;
InChIKeySNKCZGKENADHIG-UHFFFAOYSA-N
MW322.07 g/mol
LogP1.85
Rot. Bonds

About 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten

1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten (PubChem CID 59933147) has the molecular formula C9H16NW- and a molecular weight of 322.07 g/mol. Its IUPAC name is 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten.

Molecular Properties

Compound Name1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten
PubChem CID59933147
Molecular FormulaC9H16NW-
Molecular Weight322.07 g/mol
Exact Mass322.08
IUPAC Name1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten
SMILESCC(C)(C)N1CC=[C-]CC1.[W]
InChIInChI=1S/C9H16N.W/c1-9(2,3)10-7-5-4-6-8-10;/h5H,6-8H2,1-3H3;/q-1;
InChIKeySNKCZGKENADHIG-UHFFFAOYSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.07
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten?
The IUPAC name of 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten (CID 59933147) is 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten.
What is the SMILES notation for 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten?
The canonical SMILES for 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten is CC(C)(C)N1CC=[C-]CC1.[W].
What is the InChIKey of 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten?
The InChIKey is SNKCZGKENADHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N.W/c1-9(2,3)10-7-5-4-6-8-10;/h5H,6-8H2,1-3H3;/q-1;.
What are the key properties of 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten?
1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten has a molecular weight of 322.07 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten is sourced from PubChem (CID 59933147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).