2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate

C10H17NO4Pd — CID 175847987

IUPAC2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate
SMILESC1CC2CC1CN2.CC(=O)[O-].CC(=O)[O-].[Pd+2]
InChIInChI=1S/C6H11N.2C2H4O2.Pd/c1-2-6-3-5(1)4-7-6;2*1-2(3)4;/h5-7H,1-4H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyUSUAHVYCFCGQGI-UHFFFAOYSA-L
MW321.67 g/mol
LogP-1.73
Rot. Bonds

About 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate

2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate (PubChem CID 175847987) has the molecular formula C10H17NO4Pd and a molecular weight of 321.67 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate
PubChem CID175847987
Molecular FormulaC10H17NO4Pd
Molecular Weight321.67 g/mol
Exact Mass321.02
IUPAC Name2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate
SMILESC1CC2CC1CN2.CC(=O)[O-].CC(=O)[O-].[Pd+2]
InChIInChI=1S/C6H11N.2C2H4O2.Pd/c1-2-6-3-5(1)4-7-6;2*1-2(3)4;/h5-7H,1-4H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyUSUAHVYCFCGQGI-UHFFFAOYSA-L
XLogP-1.73
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.67
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate?
The IUPAC name of 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate (CID 175847987) is 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate?
The canonical SMILES for 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate is C1CC2CC1CN2.CC(=O)[O-].CC(=O)[O-].[Pd+2].
What is the InChIKey of 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate?
The InChIKey is USUAHVYCFCGQGI-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11N.2C2H4O2.Pd/c1-2-6-3-5(1)4-7-6;2*1-2(3)4;/h5-7H,1-4H2;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate?
2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate has a molecular weight of 321.67 g/mol, XLogP of -1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptane;palladium(2+);diacetate is sourced from PubChem (CID 175847987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).