ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten

C10H16NW- — CID 176944312

IUPACethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten
SMILESCC.[CH2-]/C=C1/C=C(C)C=CN1.[W]
InChIInChI=1S/C8H10N.C2H6.W/c1-3-8-6-7(2)4-5-9-8;1-2;/h3-6,9H,1H2,2H3;1-2H3;/q-1;;/b8-3-;;
InChIKeyXRUDELWDMOZDIQ-AFLHAROQSA-N
MW334.09 g/mol
LogP2.79
Rot. Bonds

About ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten

ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten (PubChem CID 176944312) has the molecular formula C10H16NW- and a molecular weight of 334.09 g/mol. Its IUPAC name is ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten.

Molecular Properties

Compound Nameethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten
PubChem CID176944312
Molecular FormulaC10H16NW-
Molecular Weight334.09 g/mol
Exact Mass334.08
IUPAC Nameethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten
SMILESCC.[CH2-]/C=C1/C=C(C)C=CN1.[W]
InChIInChI=1S/C8H10N.C2H6.W/c1-3-8-6-7(2)4-5-9-8;1-2;/h3-6,9H,1H2,2H3;1-2H3;/q-1;;/b8-3-;;
InChIKeyXRUDELWDMOZDIQ-AFLHAROQSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 52.79
H-Bond Donors ≤ 51
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 ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten?
The IUPAC name of ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten (CID 176944312) is ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten.
What is the SMILES notation for ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten?
The canonical SMILES for ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten is CC.[CH2-]/C=C1/C=C(C)C=CN1.[W].
What is the InChIKey of ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten?
The InChIKey is XRUDELWDMOZDIQ-AFLHAROQSA-N. The full InChI is InChI=1S/C8H10N.C2H6.W/c1-3-8-6-7(2)4-5-9-8;1-2;/h3-6,9H,1H2,2H3;1-2H3;/q-1;;/b8-3-;;.
What are the key properties of ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten?
ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten has a molecular weight of 334.09 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-ethylidene-4-methyl-1H-pyridine;tungsten is sourced from PubChem (CID 176944312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).