carbanide;iron(5+);methanone

C5H9FeO3 — CID 58604663

IUPACcarbanide;iron(5+);methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Fe+5]
InChIInChI=1S/3CHO.2CH3.Fe/c3*1-2;;;/h3*1H;2*1H3;/q5*-1;+5
InChIKeyMULGNVAZECCMMU-UHFFFAOYSA-N
MW172.97 g/mol
LogP0.08
Rot. Bonds

About carbanide;iron(5+);methanone

carbanide;iron(5+);methanone (PubChem CID 58604663) has the molecular formula C5H9FeO3 and a molecular weight of 172.97 g/mol. Its IUPAC name is carbanide;iron(5+);methanone.

Molecular Properties

Compound Namecarbanide;iron(5+);methanone
PubChem CID58604663
Molecular FormulaC5H9FeO3
Molecular Weight172.97 g/mol
Exact Mass172.99
IUPAC Namecarbanide;iron(5+);methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Fe+5]
InChIInChI=1S/3CHO.2CH3.Fe/c3*1-2;;;/h3*1H;2*1H3;/q5*-1;+5
InChIKeyMULGNVAZECCMMU-UHFFFAOYSA-N
XLogP0.08
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.97
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze carbanide;iron(5+);methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;iron(5+);methanone?
The IUPAC name of carbanide;iron(5+);methanone (CID 58604663) is carbanide;iron(5+);methanone.
What is the SMILES notation for carbanide;iron(5+);methanone?
The canonical SMILES for carbanide;iron(5+);methanone is [CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Fe+5].
What is the InChIKey of carbanide;iron(5+);methanone?
The InChIKey is MULGNVAZECCMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHO.2CH3.Fe/c3*1-2;;;/h3*1H;2*1H3;/q5*-1;+5.
What are the key properties of carbanide;iron(5+);methanone?
carbanide;iron(5+);methanone has a molecular weight of 172.97 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iron(5+);methanone is sourced from PubChem (CID 58604663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).