bis(acetonitrile);copper

C4H6CuN2 — CID 87379493

IUPACbis(acetonitrile);copper
SMILESCC#N.CC#N.[Cu]
InChIInChI=1S/2C2H3N.Cu/c2*1-2-3;/h2*1H3;
InChIKeyPTJKRZQYECMSOT-UHFFFAOYSA-N
MW145.65 g/mol
LogP1.06
Rot. Bonds

About bis(acetonitrile);copper

bis(acetonitrile);copper (PubChem CID 87379493) has the molecular formula C4H6CuN2 and a molecular weight of 145.65 g/mol. Its IUPAC name is bis(acetonitrile);copper.

Molecular Properties

Compound Namebis(acetonitrile);copper
PubChem CID87379493
Molecular FormulaC4H6CuN2
Molecular Weight145.65 g/mol
Exact Mass144.98
IUPAC Namebis(acetonitrile);copper
SMILESCC#N.CC#N.[Cu]
InChIInChI=1S/2C2H3N.Cu/c2*1-2-3;/h2*1H3;
InChIKeyPTJKRZQYECMSOT-UHFFFAOYSA-N
XLogP1.06
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.65
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);copper?
The IUPAC name of bis(acetonitrile);copper (CID 87379493) is bis(acetonitrile);copper.
What is the SMILES notation for bis(acetonitrile);copper?
The canonical SMILES for bis(acetonitrile);copper is CC#N.CC#N.[Cu].
What is the InChIKey of bis(acetonitrile);copper?
The InChIKey is PTJKRZQYECMSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3N.Cu/c2*1-2-3;/h2*1H3;.
What are the key properties of bis(acetonitrile);copper?
bis(acetonitrile);copper has a molecular weight of 145.65 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);copper is sourced from PubChem (CID 87379493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).