isocyanobenzene;tungsten

C7H4NW- — CID 59216570

IUPACisocyanobenzene;tungsten
SMILES[C-]#[N+]c1[c-]cccc1.[W]
InChIInChI=1S/C7H4N.W/c1-8-7-5-3-2-4-6-7;/h2-5H;/q-1;
InChIKeyJOFZNINTEOJJFV-UHFFFAOYSA-N
MW285.96 g/mol
LogP2.04
Rot. Bonds

About isocyanobenzene;tungsten

isocyanobenzene;tungsten (PubChem CID 59216570) has the molecular formula C7H4NW- and a molecular weight of 285.96 g/mol. Its IUPAC name is isocyanobenzene;tungsten.

Molecular Properties

Compound Nameisocyanobenzene;tungsten
PubChem CID59216570
Molecular FormulaC7H4NW-
Molecular Weight285.96 g/mol
Exact Mass285.99
IUPAC Nameisocyanobenzene;tungsten
SMILES[C-]#[N+]c1[c-]cccc1.[W]
InChIInChI=1S/C7H4N.W/c1-8-7-5-3-2-4-6-7;/h2-5H;/q-1;
InChIKeyJOFZNINTEOJJFV-UHFFFAOYSA-N
XLogP2.04
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.96
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 59216542
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CID 134850166
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CID 161119758
1-chloro-3-phenylisoquinoline;tungsten
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CID 23570247
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CID 20703759

Frequently Asked Questions

What is the IUPAC name of isocyanobenzene;tungsten?
The IUPAC name of isocyanobenzene;tungsten (CID 59216570) is isocyanobenzene;tungsten.
What is the SMILES notation for isocyanobenzene;tungsten?
The canonical SMILES for isocyanobenzene;tungsten is [C-]#[N+]c1[c-]cccc1.[W].
What is the InChIKey of isocyanobenzene;tungsten?
The InChIKey is JOFZNINTEOJJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N.W/c1-8-7-5-3-2-4-6-7;/h2-5H;/q-1;.
What are the key properties of isocyanobenzene;tungsten?
isocyanobenzene;tungsten has a molecular weight of 285.96 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanobenzene;tungsten is sourced from PubChem (CID 59216570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).