cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)

C11H11FeO3 — CID 169092793

IUPACcyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)
SMILESO=[Fe+].OC(O)=C1C=CC=C1.c1cc[cH-]c1
InChIInChI=1S/C6H6O2.C5H5.Fe.O/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;;/h1-4,7-8H;1-5H;;/q;-1;+1;
InChIKeyDMHVJHAIMCYNRK-UHFFFAOYSA-N
MW247.05 g/mol
LogP2.72
Rot. Bonds

About cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+) (PubChem CID 169092793) has the molecular formula C11H11FeO3 and a molecular weight of 247.05 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)
PubChem CID169092793
Molecular FormulaC11H11FeO3
Molecular Weight247.05 g/mol
Exact Mass247.01
IUPAC Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)
SMILESO=[Fe+].OC(O)=C1C=CC=C1.c1cc[cH-]c1
InChIInChI=1S/C6H6O2.C5H5.Fe.O/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;;/h1-4,7-8H;1-5H;;/q;-1;+1;
InChIKeyDMHVJHAIMCYNRK-UHFFFAOYSA-N
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+) with MolForge

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Related Compounds

chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene
CID 167440879
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
CID 175693136
cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron
CID 176895077
N,N-bis[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]prop-2-ynamide;bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 172991410
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron
CID 171395327
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(2-sulfanylethylamino)methanolate;iron(2+)
CID 131724610
2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron
CID 170566479
11-bromo-1-cyclopenta-2,4-dien-1-ylideneundecan-1-olate;cyclopenta-1,3-diene;iron(2+)
CID 160872431
(2-bromophenyl)-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
CID 131722396
cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate
CID 90480818
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
bis(cyclopenta-1,3-diene);nickel
CID 25199994

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+) (CID 169092793) is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+).
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+) is O=[Fe+].OC(O)=C1C=CC=C1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)?
The InChIKey is DMHVJHAIMCYNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C5H5.Fe.O/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;;/h1-4,7-8H;1-5H;;/q;-1;+1;.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)?
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+) has a molecular weight of 247.05 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+) is sourced from PubChem (CID 169092793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).