copper bis(2-methyl-4-nitrosophenolate)

C14H12CuN2O4 — CID 15864874

IUPACcopper bis(2-methyl-4-nitrosophenolate)
SMILESCc1cc(N=O)ccc1[O-].Cc1cc(N=O)ccc1[O-].[Cu+2]
InChIInChI=1S/2C7H7NO2.Cu/c2*1-5-4-6(8-10)2-3-7(5)9;/h2*2-4,9H,1H3;/q;;+2/p-2
InChIKeyXSHFLXQCDKWKRE-UHFFFAOYSA-L
MW335.81 g/mol
LogP2.93
Rot. Bonds2

About copper bis(2-methyl-4-nitrosophenolate)

copper bis(2-methyl-4-nitrosophenolate) (PubChem CID 15864874) has the molecular formula C14H12CuN2O4 and a molecular weight of 335.81 g/mol. Its IUPAC name is copper bis(2-methyl-4-nitrosophenolate).

Molecular Properties

Compound Namecopper bis(2-methyl-4-nitrosophenolate)
PubChem CID15864874
Molecular FormulaC14H12CuN2O4
Molecular Weight335.81 g/mol
Exact Mass335.01
IUPAC Namecopper bis(2-methyl-4-nitrosophenolate)
SMILESCc1cc(N=O)ccc1[O-].Cc1cc(N=O)ccc1[O-].[Cu+2]
InChIInChI=1S/2C7H7NO2.Cu/c2*1-5-4-6(8-10)2-3-7(5)9;/h2*2-4,9H,1H3;/q;;+2/p-2
InChIKeyXSHFLXQCDKWKRE-UHFFFAOYSA-L
XLogP2.93
TPSA104.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of copper bis(2-methyl-4-nitrosophenolate)?
The IUPAC name of copper bis(2-methyl-4-nitrosophenolate) (CID 15864874) is copper bis(2-methyl-4-nitrosophenolate).
What is the SMILES notation for copper bis(2-methyl-4-nitrosophenolate)?
The canonical SMILES for copper bis(2-methyl-4-nitrosophenolate) is Cc1cc(N=O)ccc1[O-].Cc1cc(N=O)ccc1[O-].[Cu+2].
What is the InChIKey of copper bis(2-methyl-4-nitrosophenolate)?
The InChIKey is XSHFLXQCDKWKRE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H7NO2.Cu/c2*1-5-4-6(8-10)2-3-7(5)9;/h2*2-4,9H,1H3;/q;;+2/p-2.
What are the key properties of copper bis(2-methyl-4-nitrosophenolate)?
copper bis(2-methyl-4-nitrosophenolate) has a molecular weight of 335.81 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-methyl-4-nitrosophenolate) is sourced from PubChem (CID 15864874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).