bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)

C11H11FeO2 — CID 154418619

IUPACbis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)
SMILESO=[C-]O.[Fe+3].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CHO2.Fe/c2*1-2-4-5-3-1;2-1-3;/h2*1-5H;(H,2,3);/q3*-1;+3
InChIKeyWRPMDNNAPARTAF-UHFFFAOYSA-N
MW231.05 g/mol
LogP2.42
Rot. Bonds

About bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)

bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+) (PubChem CID 154418619) has the molecular formula C11H11FeO2 and a molecular weight of 231.05 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)
PubChem CID154418619
Molecular FormulaC11H11FeO2
Molecular Weight231.05 g/mol
Exact Mass231.01
IUPAC Namebis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)
SMILESO=[C-]O.[Fe+3].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CHO2.Fe/c2*1-2-4-5-3-1;2-1-3;/h2*1-5H;(H,2,3);/q3*-1;+3
InChIKeyWRPMDNNAPARTAF-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(cyclopenta-1,3-diene);bis(iron(3+));methanone
CID 174994581
carbanide;cyclopenta-1,3-diene;iron(3+)
CID 139939973
carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)
CID 141370392
bis(cyclopenta-1,3-diene);gold
CID 140990202
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);iron(4+);methanone
CID 174626871
tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate
CID 42619259
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)
CID 161107864
chromium(4+);bis(cyclopenta-1,3-diene);dichloride
CID 158887640

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)?
The IUPAC name of bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+) (CID 154418619) is bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+) is O=[C-]O.[Fe+3].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)?
The InChIKey is WRPMDNNAPARTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.CHO2.Fe/c2*1-2-4-5-3-1;2-1-3;/h2*1-5H;(H,2,3);/q3*-1;+3.
What are the key properties of bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)?
bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+) has a molecular weight of 231.05 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+) is sourced from PubChem (CID 154418619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).