formaldehyde;iron;isocyanobenzene

C11H13FeNO4 — CID 173350643

IUPACformaldehyde;iron;isocyanobenzene
SMILESC=O.C=O.C=O.C=O.[C-]#[N+]c1ccccc1.[Fe]
InChIInChI=1S/C7H5N.4CH2O.Fe/c1-8-7-5-3-2-4-6-7;4*1-2;/h2-6H;4*1H2;
InChIKeySIGFSNXBIZCBNI-UHFFFAOYSA-N
MW279.07 g/mol
LogP1.50
Rot. Bonds

About formaldehyde;iron;isocyanobenzene

formaldehyde;iron;isocyanobenzene (PubChem CID 173350643) has the molecular formula C11H13FeNO4 and a molecular weight of 279.07 g/mol. Its IUPAC name is formaldehyde;iron;isocyanobenzene.

Molecular Properties

Compound Nameformaldehyde;iron;isocyanobenzene
PubChem CID173350643
Molecular FormulaC11H13FeNO4
Molecular Weight279.07 g/mol
Exact Mass279.02
IUPAC Nameformaldehyde;iron;isocyanobenzene
SMILESC=O.C=O.C=O.C=O.[C-]#[N+]c1ccccc1.[Fe]
InChIInChI=1S/C7H5N.4CH2O.Fe/c1-8-7-5-3-2-4-6-7;4*1-2;/h2-6H;4*1H2;
InChIKeySIGFSNXBIZCBNI-UHFFFAOYSA-N
XLogP1.50
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.07
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze formaldehyde;iron;isocyanobenzene 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 formaldehyde;iron;isocyanobenzene?
The IUPAC name of formaldehyde;iron;isocyanobenzene (CID 173350643) is formaldehyde;iron;isocyanobenzene.
What is the SMILES notation for formaldehyde;iron;isocyanobenzene?
The canonical SMILES for formaldehyde;iron;isocyanobenzene is C=O.C=O.C=O.C=O.[C-]#[N+]c1ccccc1.[Fe].
What is the InChIKey of formaldehyde;iron;isocyanobenzene?
The InChIKey is SIGFSNXBIZCBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.4CH2O.Fe/c1-8-7-5-3-2-4-6-7;4*1-2;/h2-6H;4*1H2;.
What are the key properties of formaldehyde;iron;isocyanobenzene?
formaldehyde;iron;isocyanobenzene has a molecular weight of 279.07 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;iron;isocyanobenzene is sourced from PubChem (CID 173350643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).