3-nitrobut-3-en-2-ylidenetungsten

C4H5NO2W — CID 59740835

IUPAC3-nitrobut-3-en-2-ylidenetungsten
SMILESC=C(C(C)=[W])[N+](=O)[O-]
InChIInChI=1S/C4H5NO2.W/c1-3-4(2)5(6)7;/h2H2,1H3;
InChIKeyQAJGHUCZZODNGC-UHFFFAOYSA-N
MW282.93 g/mol
LogP0.52
Rot. Bonds2

About 3-nitrobut-3-en-2-ylidenetungsten

3-nitrobut-3-en-2-ylidenetungsten (PubChem CID 59740835) has the molecular formula C4H5NO2W and a molecular weight of 282.93 g/mol. Its IUPAC name is 3-nitrobut-3-en-2-ylidenetungsten.

Molecular Properties

Compound Name3-nitrobut-3-en-2-ylidenetungsten
PubChem CID59740835
Molecular FormulaC4H5NO2W
Molecular Weight282.93 g/mol
Exact Mass282.98
IUPAC Name3-nitrobut-3-en-2-ylidenetungsten
SMILESC=C(C(C)=[W])[N+](=O)[O-]
InChIInChI=1S/C4H5NO2.W/c1-3-4(2)5(6)7;/h2H2,1H3;
InChIKeyQAJGHUCZZODNGC-UHFFFAOYSA-N
XLogP0.52
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.93
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-nitrobut-3-en-2-ylidenetungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-nitrobut-3-en-2-ylidenetungsten?
The IUPAC name of 3-nitrobut-3-en-2-ylidenetungsten (CID 59740835) is 3-nitrobut-3-en-2-ylidenetungsten.
What is the SMILES notation for 3-nitrobut-3-en-2-ylidenetungsten?
The canonical SMILES for 3-nitrobut-3-en-2-ylidenetungsten is C=C(C(C)=[W])[N+](=O)[O-].
What is the InChIKey of 3-nitrobut-3-en-2-ylidenetungsten?
The InChIKey is QAJGHUCZZODNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.W/c1-3-4(2)5(6)7;/h2H2,1H3;.
What are the key properties of 3-nitrobut-3-en-2-ylidenetungsten?
3-nitrobut-3-en-2-ylidenetungsten has a molecular weight of 282.93 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrobut-3-en-2-ylidenetungsten is sourced from PubChem (CID 59740835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).