cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron

C10H11FeO3P-6 — CID 174402922

IUPACcyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron
SMILESO=P(O)(O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C5H6O3P.C5H5.Fe/c6-9(7,8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H,(H2,6,7,8);1-5H;/q-1;-5;
InChIKeyZNUAZZZDUBENJQ-UHFFFAOYSA-N
MW266.01 g/mol
LogP1.61
Rot. Bonds1

About cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron

cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron (PubChem CID 174402922) has the molecular formula C10H11FeO3P-6 and a molecular weight of 266.01 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron
PubChem CID174402922
Molecular FormulaC10H11FeO3P-6
Molecular Weight266.01 g/mol
Exact Mass265.98
IUPAC Namecyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron
SMILESO=P(O)(O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C5H6O3P.C5H5.Fe/c6-9(7,8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H,(H2,6,7,8);1-5H;/q-1;-5;
InChIKeyZNUAZZZDUBENJQ-UHFFFAOYSA-N
XLogP1.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.01
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron?
The IUPAC name of cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron (CID 174402922) is cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron?
The canonical SMILES for cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron is O=P(O)(O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron?
The InChIKey is ZNUAZZZDUBENJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3P.C5H5.Fe/c6-9(7,8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H,(H2,6,7,8);1-5H;/q-1;-5;.
What are the key properties of cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron?
cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron has a molecular weight of 266.01 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron is sourced from PubChem (CID 174402922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).