(Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)

C13H11ClFeO — CID 56846507

IUPAC(Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)
SMILESO=C/C=C(\Cl)c1cc[cH-]c1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C8H6ClO.C5H5.Fe/c9-8(5-6-10)7-3-1-2-4-7;1-2-4-5-3-1;/h1-6H;1-5H;/q2*-1;+2/b8-5-;;
InChIKeyBYIKGQQCVGKGKB-XTKZWJJBSA-N
MW274.53 g/mol
LogP3.59
Rot. Bonds2

About (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)

(Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+) (PubChem CID 56846507) has the molecular formula C13H11ClFeO and a molecular weight of 274.53 g/mol. Its IUPAC name is (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Name(Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)
PubChem CID56846507
Molecular FormulaC13H11ClFeO
Molecular Weight274.53 g/mol
Exact Mass273.98
IUPAC Name(Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)
SMILESO=C/C=C(\Cl)c1cc[cH-]c1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C8H6ClO.C5H5.Fe/c9-8(5-6-10)7-3-1-2-4-7;1-2-4-5-3-1;/h1-6H;1-5H;/q2*-1;+2/b8-5-;;
InChIKeyBYIKGQQCVGKGKB-XTKZWJJBSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)?
The IUPAC name of (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+) (CID 56846507) is (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+) is O=C/C=C(\Cl)c1cc[cH-]c1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)?
The InChIKey is BYIKGQQCVGKGKB-XTKZWJJBSA-N. The full InChI is InChI=1S/C8H6ClO.C5H5.Fe/c9-8(5-6-10)7-3-1-2-4-7;1-2-4-5-3-1;/h1-6H;1-5H;/q2*-1;+2/b8-5-;;.
What are the key properties of (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+)?
(Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+) has a molecular weight of 274.53 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-cyclopenta-1,4-dien-1-ylprop-2-enal;cyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 56846507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).