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

C14H15ClFeO — CID 175736486

IUPACcyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)
SMILESO=C(Cl)CCCc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H10ClO.C5H5.Fe/c10-9(11)7-3-6-8-4-1-2-5-8;1-2-4-5-3-1;/h1-2,4-5H,3,6-7H2;1-5H;/q2*-1;+2
InChIKeyVWFPKIPAADTKRF-UHFFFAOYSA-N
MW290.57 g/mol
LogP3.90
Rot. Bonds4

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

cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+) (PubChem CID 175736486) has the molecular formula C14H15ClFeO and a molecular weight of 290.57 g/mol. Its IUPAC name is cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)
PubChem CID175736486
Molecular FormulaC14H15ClFeO
Molecular Weight290.57 g/mol
Exact Mass290.02
IUPAC Namecyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)
SMILESO=C(Cl)CCCc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H10ClO.C5H5.Fe/c10-9(11)7-3-6-8-4-1-2-5-8;1-2-4-5-3-1;/h1-2,4-5H,3,6-7H2;1-5H;/q2*-1;+2
InChIKeyVWFPKIPAADTKRF-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.57
LogP ≤ 53.90
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'}

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Related Compounds

1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutane-1-thiol;iron(2+)
CID 158425744
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;zirconium(2+)
CID 160781106
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
CID 73169264
cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)
CID 15194402
cyclopenta-1,3-diene;2-(cyclopenta-1,3-dien-1-ylmethyl)prop-2-enal;iron(2+)
CID 140706938
bis(1-butylcyclopenta-1,3-diene);titanium(2+)
CID 159034563
4-phenylbutanoyl chloride
CID 11789865
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
CID 157273131
1-butylcyclopenta-1,3-diene;hafnium;dichloride
CID 158111562
6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))
CID 131740901
cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylacetyl chloride;iron(2+)
CID 50897018

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+) (CID 175736486) is cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+) is O=C(Cl)CCCc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)?
The InChIKey is VWFPKIPAADTKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClO.C5H5.Fe/c10-9(11)7-3-6-8-4-1-2-5-8;1-2-4-5-3-1;/h1-2,4-5H,3,6-7H2;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)?
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+) has a molecular weight of 290.57 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+) is sourced from PubChem (CID 175736486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).