cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)

C11H9FeO2- — CID 175693136

IUPACcyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
SMILES[Fe+2].[O-]C([O-])=C1C=CC=C1.c1cc[cH-]c1
InChIInChI=1S/C6H6O2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,7-8H;1-5H;/q;-1;+2/p-2
InChIKeyOZMCRHRTLJMAFK-UHFFFAOYSA-L
MW229.04 g/mol
LogP0.45
Rot. Bonds

About cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+) (PubChem CID 175693136) has the molecular formula C11H9FeO2- and a molecular weight of 229.04 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
PubChem CID175693136
Molecular FormulaC11H9FeO2-
Molecular Weight229.04 g/mol
Exact Mass229.00
IUPAC Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
SMILES[Fe+2].[O-]C([O-])=C1C=CC=C1.c1cc[cH-]c1
InChIInChI=1S/C6H6O2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,7-8H;1-5H;/q;-1;+2/p-2
InChIKeyOZMCRHRTLJMAFK-UHFFFAOYSA-L
XLogP0.45
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+) (CID 175693136) is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+) is [Fe+2].[O-]C([O-])=C1C=CC=C1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)?
The InChIKey is OZMCRHRTLJMAFK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,7-8H;1-5H;/q;-1;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)?
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+) has a molecular weight of 229.04 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+) is sourced from PubChem (CID 175693136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).