dichlorozirconium(2+);bis(N-methanidylmethanimine)

C4H8Cl2N2Zr — CID 58670471

IUPACdichlorozirconium(2+);bis(N-methanidylmethanimine)
SMILESC=N[CH2-].C=N[CH2-].Cl[Zr+2]Cl
InChIInChI=1S/2C2H4N.2ClH.Zr/c2*1-3-2;;;/h2*1-2H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyAMGFTWMAKRGZKX-UHFFFAOYSA-L
MW246.25 g/mol
LogP2.33
Rot. Bonds

About dichlorozirconium(2+);bis(N-methanidylmethanimine)

dichlorozirconium(2+);bis(N-methanidylmethanimine) (PubChem CID 58670471) has the molecular formula C4H8Cl2N2Zr and a molecular weight of 246.25 g/mol. Its IUPAC name is dichlorozirconium(2+);bis(N-methanidylmethanimine).

Molecular Properties

Compound Namedichlorozirconium(2+);bis(N-methanidylmethanimine)
PubChem CID58670471
Molecular FormulaC4H8Cl2N2Zr
Molecular Weight246.25 g/mol
Exact Mass243.91
IUPAC Namedichlorozirconium(2+);bis(N-methanidylmethanimine)
SMILESC=N[CH2-].C=N[CH2-].Cl[Zr+2]Cl
InChIInChI=1S/2C2H4N.2ClH.Zr/c2*1-3-2;;;/h2*1-2H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyAMGFTWMAKRGZKX-UHFFFAOYSA-L
XLogP2.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azanidylmethylazanide;carbanide;N-methanidylmethanimine;bis(yttrium)
CID 58883981
N-[bis(methylideneamino)methyl]methanimine
CID 140587638
gallane;trihydrate
CID 170922878
2-(methylideneamino)prop-2-enenitrile
CID 86449523
potassium methanidylimino(oxo)methane
CID 151867234
N-[(Z)-pent-3-en-2-yl]methanimine
CID 144579517
N-(2,4,6-trimethylheptan-4-yl)methanimine
CID 142214459
N-methylidenesulfamoyl chloride
CID 58939083
4-[1-[4-(methylideneamino)-3-sulfanylphenyl]ethyl]benzonitrile
CID 143144162
tris(methylideneamino)-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium
CID 58734225
2-chloro-2-(chlorodiazenyl)propanenitrile
CID 90268553
chloromethane
CID 12662255

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);bis(N-methanidylmethanimine)?
The IUPAC name of dichlorozirconium(2+);bis(N-methanidylmethanimine) (CID 58670471) is dichlorozirconium(2+);bis(N-methanidylmethanimine).
What is the SMILES notation for dichlorozirconium(2+);bis(N-methanidylmethanimine)?
The canonical SMILES for dichlorozirconium(2+);bis(N-methanidylmethanimine) is C=N[CH2-].C=N[CH2-].Cl[Zr+2]Cl.
What is the InChIKey of dichlorozirconium(2+);bis(N-methanidylmethanimine)?
The InChIKey is AMGFTWMAKRGZKX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4N.2ClH.Zr/c2*1-3-2;;;/h2*1-2H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);bis(N-methanidylmethanimine)?
dichlorozirconium(2+);bis(N-methanidylmethanimine) has a molecular weight of 246.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);bis(N-methanidylmethanimine) is sourced from PubChem (CID 58670471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).