carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone

C14H10FeO3+4 — CID 11986665

IUPACcarbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone
SMILESO=[C-]c1ccccc1.[C-]#[O+].[C-]#[O+].[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C7H5O.C5H5.2CO.Fe/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;2*1-2;/h1-5H;1-5H;;;/q2*-1;;;+6
InChIKeyHFCRRLSFGRRVHC-UHFFFAOYSA-N
MW282.08 g/mol
LogP2.47
Rot. Bonds1

About carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone

carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone (PubChem CID 11986665) has the molecular formula C14H10FeO3+4 and a molecular weight of 282.08 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone
PubChem CID11986665
Molecular FormulaC14H10FeO3+4
Molecular Weight282.08 g/mol
Exact Mass282.00
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone
SMILESO=[C-]c1ccccc1.[C-]#[O+].[C-]#[O+].[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C7H5O.C5H5.2CO.Fe/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;2*1-2;/h1-5H;1-5H;;;/q2*-1;;;+6
InChIKeyHFCRRLSFGRRVHC-UHFFFAOYSA-N
XLogP2.47
TPSA56.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

phenylmethanone;zirconium
CID 87516869
cyclopenta-1,3-diene;1H-inden-1-ide;phenylmethanone;zirconium(4+);dihydrochloride
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potassium;phenylmethanone;sulfanide
CID 170539885
calcium;methane;phenylmethanone
CID 88599134
carbon monoxide;cyclopenta-1,3-diene;iron;propan-1-one;triphenylphosphanium
CID 42622038
carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one
CID 11986335
carbon monoxide;cyclopenta-1,3-diene;rhodium
CID 12785578
carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)
CID 42615928
carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone
CID 44630214
carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium
CID 172991193
carbanide;cyclopenta-1,3-diene;ethanone;platinum(4+)
CID 141370392
carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten
CID 11986314

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone (CID 11986665) is carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone is O=[C-]c1ccccc1.[C-]#[O+].[C-]#[O+].[Fe+6].c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone?
The InChIKey is HFCRRLSFGRRVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O.C5H5.2CO.Fe/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;2*1-2;/h1-5H;1-5H;;;/q2*-1;;;+6.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone?
carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone has a molecular weight of 282.08 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone is sourced from PubChem (CID 11986665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).