carbanide;iron(3+)

C3H9Fe — CID 59700373

IUPACcarbanide;iron(3+)
SMILES[CH3-].[CH3-].[CH3-].[Fe+3]
InChIInChI=1S/3CH3.Fe/h3*1H3;/q3*-1;+3
InChIKeyUJMKZMFGAKYFDJ-UHFFFAOYSA-N
MW100.95 g/mol
LogP1.35
Rot. Bonds

About carbanide;iron(3+)

carbanide;iron(3+) (PubChem CID 59700373) has the molecular formula C3H9Fe and a molecular weight of 100.95 g/mol. Its IUPAC name is carbanide;iron(3+).

Molecular Properties

Compound Namecarbanide;iron(3+)
PubChem CID59700373
Molecular FormulaC3H9Fe
Molecular Weight100.95 g/mol
Exact Mass101.01
IUPAC Namecarbanide;iron(3+)
SMILES[CH3-].[CH3-].[CH3-].[Fe+3]
InChIInChI=1S/3CH3.Fe/h3*1H3;/q3*-1;+3
InChIKeyUJMKZMFGAKYFDJ-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.95
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;iron(3+)?
The IUPAC name of carbanide;iron(3+) (CID 59700373) is carbanide;iron(3+).
What is the SMILES notation for carbanide;iron(3+)?
The canonical SMILES for carbanide;iron(3+) is [CH3-].[CH3-].[CH3-].[Fe+3].
What is the InChIKey of carbanide;iron(3+)?
The InChIKey is UJMKZMFGAKYFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH3.Fe/h3*1H3;/q3*-1;+3.
What are the key properties of carbanide;iron(3+)?
carbanide;iron(3+) has a molecular weight of 100.95 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iron(3+) is sourced from PubChem (CID 59700373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).