bis(5-bromocyclopenta-1,3-diene);ruthenium(2+)

C10H8Br2Ru — CID 139641147

IUPACbis(5-bromocyclopenta-1,3-diene);ruthenium(2+)
SMILESBr[c-]1cccc1.Br[c-]1cccc1.[Ru+2]
InChIInChI=1S/2C5H4Br.Ru/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2
InChIKeyWUAVVSUKUOEEHP-UHFFFAOYSA-N
MW389.05 g/mol
LogP4.33
Rot. Bonds

About bis(5-bromocyclopenta-1,3-diene);ruthenium(2+)

bis(5-bromocyclopenta-1,3-diene);ruthenium(2+) (PubChem CID 139641147) has the molecular formula C10H8Br2Ru and a molecular weight of 389.05 g/mol. Its IUPAC name is bis(5-bromocyclopenta-1,3-diene);ruthenium(2+).

Molecular Properties

Compound Namebis(5-bromocyclopenta-1,3-diene);ruthenium(2+)
PubChem CID139641147
Molecular FormulaC10H8Br2Ru
Molecular Weight389.05 g/mol
Exact Mass387.80
IUPAC Namebis(5-bromocyclopenta-1,3-diene);ruthenium(2+)
SMILESBr[c-]1cccc1.Br[c-]1cccc1.[Ru+2]
InChIInChI=1S/2C5H4Br.Ru/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2
InChIKeyWUAVVSUKUOEEHP-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(5-bromocyclopenta-1,3-diene);ruthenium(2+)?
The IUPAC name of bis(5-bromocyclopenta-1,3-diene);ruthenium(2+) (CID 139641147) is bis(5-bromocyclopenta-1,3-diene);ruthenium(2+).
What is the SMILES notation for bis(5-bromocyclopenta-1,3-diene);ruthenium(2+)?
The canonical SMILES for bis(5-bromocyclopenta-1,3-diene);ruthenium(2+) is Br[c-]1cccc1.Br[c-]1cccc1.[Ru+2].
What is the InChIKey of bis(5-bromocyclopenta-1,3-diene);ruthenium(2+)?
The InChIKey is WUAVVSUKUOEEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4Br.Ru/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2.
What are the key properties of bis(5-bromocyclopenta-1,3-diene);ruthenium(2+)?
bis(5-bromocyclopenta-1,3-diene);ruthenium(2+) has a molecular weight of 389.05 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-bromocyclopenta-1,3-diene);ruthenium(2+) is sourced from PubChem (CID 139641147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).