copper;nitroformaldehyde

CHCuNO3 — CID 174703670

IUPACcopper;nitroformaldehyde
SMILESO=C[N+](=O)[O-].[Cu]
InChIInChI=1S/CHNO3.Cu/c3-1-2(4)5;/h1H;
InChIKeyBUIVGBVHDUKINE-UHFFFAOYSA-N
MW138.57 g/mol
LogP-0.58
Rot. Bonds1

About copper;nitroformaldehyde

copper;nitroformaldehyde (PubChem CID 174703670) has the molecular formula CHCuNO3 and a molecular weight of 138.57 g/mol. Its IUPAC name is copper;nitroformaldehyde.

Molecular Properties

Compound Namecopper;nitroformaldehyde
PubChem CID174703670
Molecular FormulaCHCuNO3
Molecular Weight138.57 g/mol
Exact Mass137.93
IUPAC Namecopper;nitroformaldehyde
SMILESO=C[N+](=O)[O-].[Cu]
InChIInChI=1S/CHNO3.Cu/c3-1-2(4)5;/h1H;
InChIKeyBUIVGBVHDUKINE-UHFFFAOYSA-N
XLogP-0.58
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.57
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;nitroformaldehyde?
The IUPAC name of copper;nitroformaldehyde (CID 174703670) is copper;nitroformaldehyde.
What is the SMILES notation for copper;nitroformaldehyde?
The canonical SMILES for copper;nitroformaldehyde is O=C[N+](=O)[O-].[Cu].
What is the InChIKey of copper;nitroformaldehyde?
The InChIKey is BUIVGBVHDUKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO3.Cu/c3-1-2(4)5;/h1H;.
What are the key properties of copper;nitroformaldehyde?
copper;nitroformaldehyde has a molecular weight of 138.57 g/mol, XLogP of -0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;nitroformaldehyde is sourced from PubChem (CID 174703670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).