benzene;oxomethylideneiron

C7H6FeO — CID 174833475

IUPACbenzene;oxomethylideneiron
SMILESO=C=[Fe].c1ccccc1
InChIInChI=1S/C6H6.CO.Fe/c1-2-4-6-5-3-1;1-2;/h1-6H;;
InChIKeyIZXXDYRNOWACEQ-UHFFFAOYSA-N
MW161.97 g/mol
LogP1.29
Rot. Bonds

About benzene;oxomethylideneiron

benzene;oxomethylideneiron (PubChem CID 174833475) has the molecular formula C7H6FeO and a molecular weight of 161.97 g/mol. Its IUPAC name is benzene;oxomethylideneiron.

Molecular Properties

Compound Namebenzene;oxomethylideneiron
PubChem CID174833475
Molecular FormulaC7H6FeO
Molecular Weight161.97 g/mol
Exact Mass161.98
IUPAC Namebenzene;oxomethylideneiron
SMILESO=C=[Fe].c1ccccc1
InChIInChI=1S/C6H6.CO.Fe/c1-2-4-6-5-3-1;1-2;/h1-6H;;
InChIKeyIZXXDYRNOWACEQ-UHFFFAOYSA-N
XLogP1.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.97
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;oxomethylideneiron?
The IUPAC name of benzene;oxomethylideneiron (CID 174833475) is benzene;oxomethylideneiron.
What is the SMILES notation for benzene;oxomethylideneiron?
The canonical SMILES for benzene;oxomethylideneiron is O=C=[Fe].c1ccccc1.
What is the InChIKey of benzene;oxomethylideneiron?
The InChIKey is IZXXDYRNOWACEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CO.Fe/c1-2-4-6-5-3-1;1-2;/h1-6H;;.
What are the key properties of benzene;oxomethylideneiron?
benzene;oxomethylideneiron has a molecular weight of 161.97 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;oxomethylideneiron is sourced from PubChem (CID 174833475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).