methanediimine;zirconium

CH2N2Zr — CID 175955107

IUPACmethanediimine;zirconium
SMILESN=C=N.[Zr]
InChIInChI=1S/CH2N2.Zr/c2-1-3;/h2-3H;
InChIKeyONMXBFGMGCUWEH-UHFFFAOYSA-N
MW133.27 g/mol
LogP0.32
Rot. Bonds

About methanediimine;zirconium

methanediimine;zirconium (PubChem CID 175955107) has the molecular formula CH2N2Zr and a molecular weight of 133.27 g/mol. Its IUPAC name is methanediimine;zirconium.

Molecular Properties

Compound Namemethanediimine;zirconium
PubChem CID175955107
Molecular FormulaCH2N2Zr
Molecular Weight133.27 g/mol
Exact Mass131.93
IUPAC Namemethanediimine;zirconium
SMILESN=C=N.[Zr]
InChIInChI=1S/CH2N2.Zr/c2-1-3;/h2-3H;
InChIKeyONMXBFGMGCUWEH-UHFFFAOYSA-N
XLogP0.32
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methanediimine
CID 161145332
potassium;methanediimine;hydroxide
CID 174948340
aluminum;methanediimine;triiodide
CID 174884047
methanediimine;sulfur monoxide
CID 173434188
iodomethane;methanediimine
CID 22323963
cyclohexane;methanediimine
CID 161069555
cyclobutane;methanediimine
CID 175046874
isocyanic acid;zirconium
CID 173007129
methanediimine;oxaldehyde
CID 175329130
dichloro(oxido)sulfanium;methanediimine
CID 174831171
cyclohexene;methanediimine
CID 135389565
isocyanic acid;sulfane
CID 161242825

Frequently Asked Questions

What is the IUPAC name of methanediimine;zirconium?
The IUPAC name of methanediimine;zirconium (CID 175955107) is methanediimine;zirconium.
What is the SMILES notation for methanediimine;zirconium?
The canonical SMILES for methanediimine;zirconium is N=C=N.[Zr].
What is the InChIKey of methanediimine;zirconium?
The InChIKey is ONMXBFGMGCUWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2.Zr/c2-1-3;/h2-3H;.
What are the key properties of methanediimine;zirconium?
methanediimine;zirconium has a molecular weight of 133.27 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanediimine;zirconium is sourced from PubChem (CID 175955107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).