cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)

C12H12FeO2 — CID 15768501

IUPACcyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)
SMILESO=C(O)C[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H7O2.C5H5.Fe/c8-7(9)5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4H,5H2,(H,8,9);1-5H;/q2*-1;+2
InChIKeyMOUVOWJUMAKBBM-UHFFFAOYSA-N
MW244.07 g/mol
LogP2.44
Rot. Bonds2

About cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)

cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+) (PubChem CID 15768501) has the molecular formula C12H12FeO2 and a molecular weight of 244.07 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)
PubChem CID15768501
Molecular FormulaC12H12FeO2
Molecular Weight244.07 g/mol
Exact Mass244.02
IUPAC Namecyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)
SMILESO=C(O)C[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H7O2.C5H5.Fe/c8-7(9)5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4H,5H2,(H,8,9);1-5H;/q2*-1;+2
InChIKeyMOUVOWJUMAKBBM-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 52.44
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'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+) (CID 15768501) is cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+) is O=C(O)C[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)?
The InChIKey is MOUVOWJUMAKBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2.C5H5.Fe/c8-7(9)5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4H,5H2,(H,8,9);1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)?
cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+) has a molecular weight of 244.07 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+) is sourced from PubChem (CID 15768501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).