cyclopenta-1,3-diene;diiodoruthenium

C5H5I2Ru- — CID 140608336

IUPACcyclopenta-1,3-diene;diiodoruthenium
SMILESI[Ru]I.[C-]1=CC=CC1
InChIInChI=1S/C5H5.2HI.Ru/c1-2-4-5-3-1;;;/h1-3H,4H2;2*1H;/q-1;;;+2/p-2
InChIKeyABPSZPVVFSFUKV-UHFFFAOYSA-L
MW419.97 g/mol
LogP3.07
Rot. Bonds

About cyclopenta-1,3-diene;diiodoruthenium

cyclopenta-1,3-diene;diiodoruthenium (PubChem CID 140608336) has the molecular formula C5H5I2Ru- and a molecular weight of 419.97 g/mol. Its IUPAC name is cyclopenta-1,3-diene;diiodoruthenium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;diiodoruthenium
PubChem CID140608336
Molecular FormulaC5H5I2Ru-
Molecular Weight419.97 g/mol
Exact Mass420.75
IUPAC Namecyclopenta-1,3-diene;diiodoruthenium
SMILESI[Ru]I.[C-]1=CC=CC1
InChIInChI=1S/C5H5.2HI.Ru/c1-2-4-5-3-1;;;/h1-3H,4H2;2*1H;/q-1;;;+2/p-2
InChIKeyABPSZPVVFSFUKV-UHFFFAOYSA-L
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.97
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;diiodoruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cesium cyclopenta-1,3-diene
CID 18362255
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;diiodoruthenium?
The IUPAC name of cyclopenta-1,3-diene;diiodoruthenium (CID 140608336) is cyclopenta-1,3-diene;diiodoruthenium.
What is the SMILES notation for cyclopenta-1,3-diene;diiodoruthenium?
The canonical SMILES for cyclopenta-1,3-diene;diiodoruthenium is I[Ru]I.[C-]1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-diene;diiodoruthenium?
The InChIKey is ABPSZPVVFSFUKV-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.2HI.Ru/c1-2-4-5-3-1;;;/h1-3H,4H2;2*1H;/q-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;diiodoruthenium?
cyclopenta-1,3-diene;diiodoruthenium has a molecular weight of 419.97 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;diiodoruthenium is sourced from PubChem (CID 140608336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).