bis(acetonitrile);iron(2+)

C4H6FeN2+2 — CID 19835560

IUPACbis(acetonitrile);iron(2+)
SMILESCC#N.CC#N.[Fe+2]
InChIInChI=1S/2C2H3N.Fe/c2*1-2-3;/h2*1H3;/q;;+2
InChIKeyUCENQEFQKSDMFN-UHFFFAOYSA-N
MW137.95 g/mol
LogP1.06
Rot. Bonds

About bis(acetonitrile);iron(2+)

bis(acetonitrile);iron(2+) (PubChem CID 19835560) has the molecular formula C4H6FeN2+2 and a molecular weight of 137.95 g/mol. Its IUPAC name is bis(acetonitrile);iron(2+).

Molecular Properties

Compound Namebis(acetonitrile);iron(2+)
PubChem CID19835560
Molecular FormulaC4H6FeN2+2
Molecular Weight137.95 g/mol
Exact Mass137.99
IUPAC Namebis(acetonitrile);iron(2+)
SMILESCC#N.CC#N.[Fe+2]
InChIInChI=1S/2C2H3N.Fe/c2*1-2-3;/h2*1H3;/q;;+2
InChIKeyUCENQEFQKSDMFN-UHFFFAOYSA-N
XLogP1.06
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.95
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);iron(2+)?
The IUPAC name of bis(acetonitrile);iron(2+) (CID 19835560) is bis(acetonitrile);iron(2+).
What is the SMILES notation for bis(acetonitrile);iron(2+)?
The canonical SMILES for bis(acetonitrile);iron(2+) is CC#N.CC#N.[Fe+2].
What is the InChIKey of bis(acetonitrile);iron(2+)?
The InChIKey is UCENQEFQKSDMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3N.Fe/c2*1-2-3;/h2*1H3;/q;;+2.
What are the key properties of bis(acetonitrile);iron(2+)?
bis(acetonitrile);iron(2+) has a molecular weight of 137.95 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);iron(2+) is sourced from PubChem (CID 19835560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).