2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron

C14H12FeO-6 — CID 174143638

IUPAC2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron
SMILES[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1coc(-[c-]2cccc2)c1
InChIInChI=1S/C9H7O.C5H5.Fe/c1-2-5-8(4-1)9-6-3-7-10-9;1-2-4-5-3-1;/h1-7H;1-5H;/q-1;-5;
InChIKeyZTMMWGXYZNALEH-UHFFFAOYSA-N
MW252.09 g/mol
LogP4.07
Rot. Bonds1

About 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron

2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron (PubChem CID 174143638) has the molecular formula C14H12FeO-6 and a molecular weight of 252.09 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron
PubChem CID174143638
Molecular FormulaC14H12FeO-6
Molecular Weight252.09 g/mol
Exact Mass252.03
IUPAC Name2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron
SMILES[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1coc(-[c-]2cccc2)c1
InChIInChI=1S/C9H7O.C5H5.Fe/c1-2-5-8(4-1)9-6-3-7-10-9;1-2-4-5-3-1;/h1-7H;1-5H;/q-1;-5;
InChIKeyZTMMWGXYZNALEH-UHFFFAOYSA-N
XLogP4.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 54.07
H-Bond Donors ≤ 50
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 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron (CID 174143638) is 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron is [Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1coc(-[c-]2cccc2)c1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron?
The InChIKey is ZTMMWGXYZNALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7O.C5H5.Fe/c1-2-5-8(4-1)9-6-3-7-10-9;1-2-4-5-3-1;/h1-7H;1-5H;/q-1;-5;.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron?
2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron has a molecular weight of 252.09 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylfuran;cyclopentane;iron is sourced from PubChem (CID 174143638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).