CID 87440008

CH2CaN2Zn — CID 87440008

IUPAC—
SMILESN#CN.[Ca].[Zn]
InChIInChI=1S/CH2N2.Ca.Zn/c2-1-3;;/h2H2;;
InChIKeyVOAMNTKOJLSJCP-UHFFFAOYSA-N
MW147.51 g/mol
LogP-0.96
Rot. Bonds

About CID 87440008

CID 87440008 (PubChem CID 87440008) has the molecular formula CH2CaN2Zn and a molecular weight of 147.51 g/mol.

Molecular Properties

Compound NameCID 87440008
PubChem CID87440008
Molecular FormulaCH2CaN2Zn
Molecular Weight147.51 g/mol
Exact Mass145.91
IUPAC Name—
SMILESN#CN.[Ca].[Zn]
InChIInChI=1S/CH2N2.Ca.Zn/c2-1-3;;/h2H2;;
InChIKeyVOAMNTKOJLSJCP-UHFFFAOYSA-N
XLogP-0.96
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.51
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 88512913
CID 88512913
strontium cyanamide
CID 22399917
cyanamide;titanium
CID 172844967
cyanamide;phosphane
CID 87330007
disodium;cyanamide
CID 3015093
lithium cyanamide
CID 21431940
magnesium;cyanamide;hydride
CID 173213392
potassium;cyanamide;hydron
CID 173042176
calcium;cyanamide;hydride
CID 175350827
NCN radical
CID 5384683
cyanamide;nitrous acid
CID 174714431
cyanamide;piperazine
CID 87191192

Frequently Asked Questions

What is the IUPAC name of CID 87440008?
The IUPAC name of CID 87440008 (CID 87440008) is not available.
What is the SMILES notation for CID 87440008?
The canonical SMILES for CID 87440008 is N#CN.[Ca].[Zn].
What is the InChIKey of CID 87440008?
The InChIKey is VOAMNTKOJLSJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2.Ca.Zn/c2-1-3;;/h2H2;;.
What are the key properties of CID 87440008?
CID 87440008 has a molecular weight of 147.51 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87440008 is sourced from PubChem (CID 87440008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).