nickel;phosphanylformaldehyde

CH3NiOP — CID 88605416

IUPACnickel;phosphanylformaldehyde
SMILESO=CP.[Ni]
InChIInChI=1S/CH3OP.Ni/c2-1-3;/h1H,3H2;
InChIKeyIRUMAEQEZMRUIJ-UHFFFAOYSA-N
MW120.70 g/mol
LogP0.05
Rot. Bonds

About nickel;phosphanylformaldehyde

nickel;phosphanylformaldehyde (PubChem CID 88605416) has the molecular formula CH3NiOP and a molecular weight of 120.70 g/mol. Its IUPAC name is nickel;phosphanylformaldehyde.

Molecular Properties

Compound Namenickel;phosphanylformaldehyde
PubChem CID88605416
Molecular FormulaCH3NiOP
Molecular Weight120.70 g/mol
Exact Mass119.93
IUPAC Namenickel;phosphanylformaldehyde
SMILESO=CP.[Ni]
InChIInChI=1S/CH3OP.Ni/c2-1-3;/h1H,3H2;
InChIKeyIRUMAEQEZMRUIJ-UHFFFAOYSA-N
XLogP0.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.70
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nickel;phosphanylformaldehyde?
The IUPAC name of nickel;phosphanylformaldehyde (CID 88605416) is nickel;phosphanylformaldehyde.
What is the SMILES notation for nickel;phosphanylformaldehyde?
The canonical SMILES for nickel;phosphanylformaldehyde is O=CP.[Ni].
What is the InChIKey of nickel;phosphanylformaldehyde?
The InChIKey is IRUMAEQEZMRUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3OP.Ni/c2-1-3;/h1H,3H2;.
What are the key properties of nickel;phosphanylformaldehyde?
nickel;phosphanylformaldehyde has a molecular weight of 120.70 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;phosphanylformaldehyde is sourced from PubChem (CID 88605416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).