1H-inden-1-ide;iron

C9H7Fe- — CID 57418589

IUPAC1H-inden-1-ide;iron
SMILES[Fe].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.Fe/c1-2-5-9-7-3-6-8(9)4-1;/h1-7H;/q-1;
InChIKeyARSSFTTWUNZHHJ-UHFFFAOYSA-N
MW171.00 g/mol
LogP2.56
Rot. Bonds

About 1H-inden-1-ide;iron

1H-inden-1-ide;iron (PubChem CID 57418589) has the molecular formula C9H7Fe- and a molecular weight of 171.00 g/mol. Its IUPAC name is 1H-inden-1-ide;iron.

Molecular Properties

Compound Name1H-inden-1-ide;iron
PubChem CID57418589
Molecular FormulaC9H7Fe-
Molecular Weight171.00 g/mol
Exact Mass170.99
IUPAC Name1H-inden-1-ide;iron
SMILES[Fe].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.Fe/c1-2-5-9-7-3-6-8(9)4-1;/h1-7H;/q-1;
InChIKeyARSSFTTWUNZHHJ-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.00
LogP ≤ 52.56
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'}

Analyze 1H-inden-1-ide;iron 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 1H-inden-1-ide;iron?
The IUPAC name of 1H-inden-1-ide;iron (CID 57418589) is 1H-inden-1-ide;iron.
What is the SMILES notation for 1H-inden-1-ide;iron?
The canonical SMILES for 1H-inden-1-ide;iron is [Fe].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;iron?
The InChIKey is ARSSFTTWUNZHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.Fe/c1-2-5-9-7-3-6-8(9)4-1;/h1-7H;/q-1;.
What are the key properties of 1H-inden-1-ide;iron?
1H-inden-1-ide;iron has a molecular weight of 171.00 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;iron is sourced from PubChem (CID 57418589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).