cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)

C11H9ClFeO — CID 15194402

IUPACcyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)
SMILESO=C(Cl)c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C6H4ClO.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2
InChIKeyHACPXJXLHRBFTF-UHFFFAOYSA-N
MW248.49 g/mol
LogP3.19
Rot. Bonds1

About cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)

cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+) (PubChem CID 15194402) has the molecular formula C11H9ClFeO and a molecular weight of 248.49 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)
PubChem CID15194402
Molecular FormulaC11H9ClFeO
Molecular Weight248.49 g/mol
Exact Mass247.97
IUPAC Namecyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)
SMILESO=C(Cl)c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C6H4ClO.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2
InChIKeyHACPXJXLHRBFTF-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+) 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

cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)
CID 175736486
carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane
CID 135078041
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-2-(4-methylphenyl)ethenone;iron(2+)
CID 175898949
cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylacetyl chloride;iron(2+)
CID 50897018
cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)
CID 15191942
cyclopenta-1,3-diene;2-(cyclopenta-1,3-dien-1-ylmethyl)prop-2-enal;iron(2+)
CID 140706938
(Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)
CID 56846507
tert-butyl N-cyclopenta-1,3-dien-1-ylcarbamate;cyclopenta-1,3-diene;iron(2+)
CID 44630163
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
CID 158473034
1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron
CID 57369550
cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene
CID 75059444
cyclopenta-1,3-diene;dichlorotantalum
CID 154448287

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+) (CID 15194402) is cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+) is O=C(Cl)c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)?
The InChIKey is HACPXJXLHRBFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClO.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)?
cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+) has a molecular weight of 248.49 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+) is sourced from PubChem (CID 15194402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).