carbanide;iron(4+);methanone

C4H8FeO2 — CID 21015800

IUPACcarbanide;iron(4+);methanone
SMILES[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Fe+4]
InChIInChI=1S/2CHO.2CH3.Fe/c2*1-2;;;/h2*1H;2*1H3;/q4*-1;+4
InChIKeySKEICRVPBMGWFI-UHFFFAOYSA-N
MW143.95 g/mol
LogP0.35
Rot. Bonds

About carbanide;iron(4+);methanone

carbanide;iron(4+);methanone (PubChem CID 21015800) has the molecular formula C4H8FeO2 and a molecular weight of 143.95 g/mol. Its IUPAC name is carbanide;iron(4+);methanone.

Molecular Properties

Compound Namecarbanide;iron(4+);methanone
PubChem CID21015800
Molecular FormulaC4H8FeO2
Molecular Weight143.95 g/mol
Exact Mass143.99
IUPAC Namecarbanide;iron(4+);methanone
SMILES[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Fe+4]
InChIInChI=1S/2CHO.2CH3.Fe/c2*1-2;;;/h2*1H;2*1H3;/q4*-1;+4
InChIKeySKEICRVPBMGWFI-UHFFFAOYSA-N
XLogP0.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.95
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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(4+);methanone?
The IUPAC name of carbanide;iron(4+);methanone (CID 21015800) is carbanide;iron(4+);methanone.
What is the SMILES notation for carbanide;iron(4+);methanone?
The canonical SMILES for carbanide;iron(4+);methanone is [CH-]=O.[CH-]=O.[CH3-].[CH3-].[Fe+4].
What is the InChIKey of carbanide;iron(4+);methanone?
The InChIKey is SKEICRVPBMGWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHO.2CH3.Fe/c2*1-2;;;/h2*1H;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;iron(4+);methanone?
carbanide;iron(4+);methanone has a molecular weight of 143.95 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iron(4+);methanone is sourced from PubChem (CID 21015800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).