2-ethylcyclopenta-1,3-diene;iridium

C7H9Ir- — CID 173125355

IUPAC2-ethylcyclopenta-1,3-diene;iridium
SMILESCCC1=[C-]CC=C1.[Ir]
InChIInChI=1S/C7H9.Ir/c1-2-7-5-3-4-6-7;/h3,5H,2,4H2,1H3;/q-1;
InChIKeyIDQPYQIZSDPRBS-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.08
Rot. Bonds1

About 2-ethylcyclopenta-1,3-diene;iridium

2-ethylcyclopenta-1,3-diene;iridium (PubChem CID 173125355) has the molecular formula C7H9Ir- and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-ethylcyclopenta-1,3-diene;iridium.

Molecular Properties

Compound Name2-ethylcyclopenta-1,3-diene;iridium
PubChem CID173125355
Molecular FormulaC7H9Ir-
Molecular Weight285.37 g/mol
Exact Mass286.03
IUPAC Name2-ethylcyclopenta-1,3-diene;iridium
SMILESCCC1=[C-]CC=C1.[Ir]
InChIInChI=1S/C7H9.Ir/c1-2-7-5-3-4-6-7;/h3,5H,2,4H2,1H3;/q-1;
InChIKeyIDQPYQIZSDPRBS-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethylcyclopenta-1,3-diene;iridium 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

2-ethylcyclopenta-1,3-diene;hafnium
CID 173317623
2-ethylcyclopenta-1,3-diene;zinc
CID 173012592
bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
CID 22138507
bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
CID 73411812
carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)
CID 140501181
bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride
CID 87203276
2-ethylcyclopenta-1,3-diene;methanone;tungsten
CID 173030270
carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten
CID 87198937
cyclopenta-1,3-diene;2-ethylcyclopenta-1,3-diene;zirconium(2+)
CID 18431344
1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
CID 87477496
hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide
CID 174711388
2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride
CID 173025435

Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclopenta-1,3-diene;iridium?
The IUPAC name of 2-ethylcyclopenta-1,3-diene;iridium (CID 173125355) is 2-ethylcyclopenta-1,3-diene;iridium.
What is the SMILES notation for 2-ethylcyclopenta-1,3-diene;iridium?
The canonical SMILES for 2-ethylcyclopenta-1,3-diene;iridium is CCC1=[C-]CC=C1.[Ir].
What is the InChIKey of 2-ethylcyclopenta-1,3-diene;iridium?
The InChIKey is IDQPYQIZSDPRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.Ir/c1-2-7-5-3-4-6-7;/h3,5H,2,4H2,1H3;/q-1;.
What are the key properties of 2-ethylcyclopenta-1,3-diene;iridium?
2-ethylcyclopenta-1,3-diene;iridium has a molecular weight of 285.37 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclopenta-1,3-diene;iridium is sourced from PubChem (CID 173125355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).