cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)

C11H10ORu — CID 15809045

IUPACcyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)
SMILESO=C[c-]1cccc1.[Ru+2].c1cc[cH-]c1
InChIInChI=1S/C6H5O.C5H5.Ru/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;/q2*-1;+2
InChIKeyFBGSFTHPXHLDGP-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.62
Rot. Bonds1

About cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)

cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+) (PubChem CID 15809045) has the molecular formula C11H10ORu and a molecular weight of 259.27 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)
PubChem CID15809045
Molecular FormulaC11H10ORu
Molecular Weight259.27 g/mol
Exact Mass259.98
IUPAC Namecyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)
SMILESO=C[c-]1cccc1.[Ru+2].c1cc[cH-]c1
InChIInChI=1S/C6H5O.C5H5.Ru/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;/q2*-1;+2
InChIKeyFBGSFTHPXHLDGP-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+) (CID 15809045) is cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+) is O=C[c-]1cccc1.[Ru+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)?
The InChIKey is FBGSFTHPXHLDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O.C5H5.Ru/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)?
cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+) has a molecular weight of 259.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+) is sourced from PubChem (CID 15809045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).