carbon monoxide;bis(prop-2-enenitrile);tungsten

C10H6N2O4W — CID 134899253

IUPACcarbon monoxide;bis(prop-2-enenitrile);tungsten
SMILESC=CC#N.C=CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/2C3H3N.4CO.W/c2*1-2-3-4;4*1-2;/h2*2H,1H2;;;;;
InChIKeyLQTRXFHYORFBHM-UHFFFAOYSA-N
MW402.01 g/mol
LogP1.24
Rot. Bonds

About carbon monoxide;bis(prop-2-enenitrile);tungsten

carbon monoxide;bis(prop-2-enenitrile);tungsten (PubChem CID 134899253) has the molecular formula C10H6N2O4W and a molecular weight of 402.01 g/mol. Its IUPAC name is carbon monoxide;bis(prop-2-enenitrile);tungsten.

Molecular Properties

Compound Namecarbon monoxide;bis(prop-2-enenitrile);tungsten
PubChem CID134899253
Molecular FormulaC10H6N2O4W
Molecular Weight402.01 g/mol
Exact Mass401.98
IUPAC Namecarbon monoxide;bis(prop-2-enenitrile);tungsten
SMILESC=CC#N.C=CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/2C3H3N.4CO.W/c2*1-2-3-4;4*1-2;/h2*2H,1H2;;;;;
InChIKeyLQTRXFHYORFBHM-UHFFFAOYSA-N
XLogP1.24
TPSA127.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.01
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enenitrile;dihydrate
CID 175150408
sodium;prop-2-enenitrile;cyanide
CID 160859607
CID 159057552
CID 159057552
CID 163776931
CID 163776931
platinum;prop-2-enenitrile
CID 159226691
prop-2-enenitrile;selane
CID 175541526
methanol;prop-2-enenitrile
CID 19700097
propane-1,3-diol;prop-2-enenitrile
CID 174190205
prop-2-enenitrile;prop-1-yne
CID 141109996
prop-2-enenitrile;1,1,2,2-tetrafluoroethene
CID 174809143
sodium;hydride;prop-2-enenitrile;thiocyanic acid
CID 174758576
silver;prop-2-enenitrile;nitrate
CID 161335917

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis(prop-2-enenitrile);tungsten?
The IUPAC name of carbon monoxide;bis(prop-2-enenitrile);tungsten (CID 134899253) is carbon monoxide;bis(prop-2-enenitrile);tungsten.
What is the SMILES notation for carbon monoxide;bis(prop-2-enenitrile);tungsten?
The canonical SMILES for carbon monoxide;bis(prop-2-enenitrile);tungsten is C=CC#N.C=CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].
What is the InChIKey of carbon monoxide;bis(prop-2-enenitrile);tungsten?
The InChIKey is LQTRXFHYORFBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N.4CO.W/c2*1-2-3-4;4*1-2;/h2*2H,1H2;;;;;.
What are the key properties of carbon monoxide;bis(prop-2-enenitrile);tungsten?
carbon monoxide;bis(prop-2-enenitrile);tungsten has a molecular weight of 402.01 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis(prop-2-enenitrile);tungsten is sourced from PubChem (CID 134899253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).