3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten

C6H6NO2W- — CID 177097201

IUPAC3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten
SMILESO=C1[N-]C(=O)C2CCC12.[W]
InChIInChI=1S/C6H7NO2.W/c8-5-3-1-2-4(3)6(9)7-5;/h3-4H,1-2H2,(H,7,8,9);/p-1
InChIKeyOMVICUIWNCAVGJ-UHFFFAOYSA-M
MW307.96 g/mol
LogP0.45
Rot. Bonds

About 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten

3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten (PubChem CID 177097201) has the molecular formula C6H6NO2W- and a molecular weight of 307.96 g/mol. Its IUPAC name is 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten.

Molecular Properties

Compound Name3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten
PubChem CID177097201
Molecular FormulaC6H6NO2W-
Molecular Weight307.96 g/mol
Exact Mass307.99
IUPAC Name3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten
SMILESO=C1[N-]C(=O)C2CCC12.[W]
InChIInChI=1S/C6H7NO2.W/c8-5-3-1-2-4(3)6(9)7-5;/h3-4H,1-2H2,(H,7,8,9);/p-1
InChIKeyOMVICUIWNCAVGJ-UHFFFAOYSA-M
XLogP0.45
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.96
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten?
The IUPAC name of 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten (CID 177097201) is 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten.
What is the SMILES notation for 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten?
The canonical SMILES for 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten is O=C1[N-]C(=O)C2CCC12.[W].
What is the InChIKey of 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten?
The InChIKey is OMVICUIWNCAVGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO2.W/c8-5-3-1-2-4(3)6(9)7-5;/h3-4H,1-2H2,(H,7,8,9);/p-1.
What are the key properties of 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten?
3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten has a molecular weight of 307.96 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azanidabicyclo[3.2.0]heptane-2,4-dione;tungsten is sourced from PubChem (CID 177097201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).