cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)

C19H16FeO — CID 57351793

About cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)

cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+) (PubChem CID 57351793) has the molecular formula C19H16FeO and a molecular weight of 316.18 g/mol. Its IUPAC name is cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+).

Molecular Properties

• Compound Name: cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)
• PubChem CID: 57351793
• Molecular Formula: C19H16FeO
• Molecular Weight: 316.18 g/mol
• Exact Mass: 316.06
• IUPAC Name: cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)
• SMILES: [Fe+2].[O-]C(=CC=C1C=CC=C1)c1ccccc1.c1cc[cH-]c1
• InChI: InChI=1S/C14H12O.C5H5.Fe/c15-14(13-8-2-1-3-9-13)11-10-12-6-4-5-7-12;1-2-4-5-3-1;/h1-11,15H;1-5H;/q;-1;+2/p-1
• InChIKey: WOHMUERAUARSGS-UHFFFAOYSA-M
• XLogP: 3.84
• TPSA: 23.06 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.18
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)?

The IUPAC name of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+) (CID 57351793) is cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+).

What is the SMILES notation for cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)?

The canonical SMILES for cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+) is [Fe+2].[O-]C(=CC=C1C=CC=C1)c1ccccc1.c1cc[cH-]c1.

What is the InChIKey of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)?

The InChIKey is WOHMUERAUARSGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O.C5H5.Fe/c15-14(13-8-2-1-3-9-13)11-10-12-6-4-5-7-12;1-2-4-5-3-1;/h1-11,15H;1-5H;/q;-1;+2/p-1.

What are the key properties of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)?

cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+) has a molecular weight of 316.18 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+) is sourced from PubChem (CID 57351793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).