CID 161008021

C2CaCuN2 — CID 161008021

IUPAC—
SMILES[C-]#N.[C-]#N.[Ca].[Cu+2]
InChIInChI=1S/2CN.Ca.Cu/c2*1-2;;/q2*-1;;+2
InChIKeyVFKZCTZLWISMNR-UHFFFAOYSA-N
MW155.66 g/mol
LogP-0.19
Rot. Bonds

About CID 161008021

CID 161008021 (PubChem CID 161008021) has the molecular formula C2CaCuN2 and a molecular weight of 155.66 g/mol.

Molecular Properties

Compound NameCID 161008021
PubChem CID161008021
Molecular FormulaC2CaCuN2
Molecular Weight155.66 g/mol
Exact Mass154.90
IUPAC Name—
SMILES[C-]#N.[C-]#N.[Ca].[Cu+2]
InChIInChI=1S/2CN.Ca.Cu/c2*1-2;;/q2*-1;;+2
InChIKeyVFKZCTZLWISMNR-UHFFFAOYSA-N
XLogP-0.19
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.66
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161008021?
The IUPAC name of CID 161008021 (CID 161008021) is not available.
What is the SMILES notation for CID 161008021?
The canonical SMILES for CID 161008021 is [C-]#N.[C-]#N.[Ca].[Cu+2].
What is the InChIKey of CID 161008021?
The InChIKey is VFKZCTZLWISMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2CN.Ca.Cu/c2*1-2;;/q2*-1;;+2.
What are the key properties of CID 161008021?
CID 161008021 has a molecular weight of 155.66 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161008021 is sourced from PubChem (CID 161008021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).