ethane;3-methylcyclobutane-1-carbonitrile;tungsten

C8H14NW- — CID 178155727

IUPACethane;3-methylcyclobutane-1-carbonitrile;tungsten
SMILESCC.C[C-]1CC(C#N)C1.[W]
InChIInChI=1S/C6H8N.C2H6.W/c1-5-2-6(3-5)4-7;1-2;/h6H,2-3H2,1H3;1-2H3;/q-1;;
InChIKeyLCSSJIMNQLKPON-UHFFFAOYSA-N
MW308.05 g/mol
LogP2.54
Rot. Bonds

About ethane;3-methylcyclobutane-1-carbonitrile;tungsten

ethane;3-methylcyclobutane-1-carbonitrile;tungsten (PubChem CID 178155727) has the molecular formula C8H14NW- and a molecular weight of 308.05 g/mol. Its IUPAC name is ethane;3-methylcyclobutane-1-carbonitrile;tungsten.

Molecular Properties

Compound Nameethane;3-methylcyclobutane-1-carbonitrile;tungsten
PubChem CID178155727
Molecular FormulaC8H14NW-
Molecular Weight308.05 g/mol
Exact Mass308.06
IUPAC Nameethane;3-methylcyclobutane-1-carbonitrile;tungsten
SMILESCC.C[C-]1CC(C#N)C1.[W]
InChIInChI=1S/C6H8N.C2H6.W/c1-5-2-6(3-5)4-7;1-2;/h6H,2-3H2,1H3;1-2H3;/q-1;;
InChIKeyLCSSJIMNQLKPON-UHFFFAOYSA-N
XLogP2.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.05
LogP ≤ 52.54
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 ethane;3-methylcyclobutane-1-carbonitrile;tungsten?
The IUPAC name of ethane;3-methylcyclobutane-1-carbonitrile;tungsten (CID 178155727) is ethane;3-methylcyclobutane-1-carbonitrile;tungsten.
What is the SMILES notation for ethane;3-methylcyclobutane-1-carbonitrile;tungsten?
The canonical SMILES for ethane;3-methylcyclobutane-1-carbonitrile;tungsten is CC.C[C-]1CC(C#N)C1.[W].
What is the InChIKey of ethane;3-methylcyclobutane-1-carbonitrile;tungsten?
The InChIKey is LCSSJIMNQLKPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.C2H6.W/c1-5-2-6(3-5)4-7;1-2;/h6H,2-3H2,1H3;1-2H3;/q-1;;.
What are the key properties of ethane;3-methylcyclobutane-1-carbonitrile;tungsten?
ethane;3-methylcyclobutane-1-carbonitrile;tungsten has a molecular weight of 308.05 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylcyclobutane-1-carbonitrile;tungsten is sourced from PubChem (CID 178155727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).