cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+)

C11H10FeO2 — CID 6477916

IUPACcyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+)
SMILES[Fe+2].[O-]C(O)=C1C=CC=C1.c1cc[cH-]c1
InChIInChI=1S/C6H6O2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,7-8H;1-5H;/q;-1;+2/p-1
InChIKeyOZMCRHRTLJMAFK-UHFFFAOYSA-M
MW230.04 g/mol
LogP1.65
Rot. Bonds

About cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+)

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+) (PubChem CID 6477916) has the molecular formula C11H10FeO2 and a molecular weight of 230.04 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+)
PubChem CID6477916
Molecular FormulaC11H10FeO2
Molecular Weight230.04 g/mol
Exact Mass230.00
IUPAC Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+)
SMILES[Fe+2].[O-]C(O)=C1C=CC=C1.c1cc[cH-]c1
InChIInChI=1S/C6H6O2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,7-8H;1-5H;/q;-1;+2/p-1
InChIKeyOZMCRHRTLJMAFK-UHFFFAOYSA-M
XLogP1.65
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+) (CID 6477916) is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+) is [Fe+2].[O-]C(O)=C1C=CC=C1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+)?
The InChIKey is OZMCRHRTLJMAFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,7-8H;1-5H;/q;-1;+2/p-1.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+)?
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+) has a molecular weight of 230.04 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;iron(2+) is sourced from PubChem (CID 6477916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).