ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine

C17H24IrNO4- — CID 11634665

IUPACethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine
SMILESCC(=O)/C=C(\C)O.CC(=O)/C=C(\C)O.[H][C-]=C.[Ir].c1ccncc1
InChIInChI=1S/C5H5N.2C5H8O2.C2H3.Ir/c1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;1-2;/h1-5H;2*3,6H,1-2H3;1H,2H2;/q;;;-1;/b;2*4-3+;;
InChIKeyVTUDOTPXEOKUPW-AKVAXNCASA-N
MW498.60 g/mol
LogP3.76
Rot. Bonds2

About ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine

ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine (PubChem CID 11634665) has the molecular formula C17H24IrNO4- and a molecular weight of 498.60 g/mol. Its IUPAC name is ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine.

Molecular Properties

Compound Nameethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine
PubChem CID11634665
Molecular FormulaC17H24IrNO4-
Molecular Weight498.60 g/mol
Exact Mass499.13
IUPAC Nameethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine
SMILESCC(=O)/C=C(\C)O.CC(=O)/C=C(\C)O.[H][C-]=C.[Ir].c1ccncc1
InChIInChI=1S/C5H5N.2C5H8O2.C2H3.Ir/c1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;1-2;/h1-5H;2*3,6H,1-2H3;1H,2H2;/q;;;-1;/b;2*4-3+;;
InChIKeyVTUDOTPXEOKUPW-AKVAXNCASA-N
XLogP3.76
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine?
The IUPAC name of ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine (CID 11634665) is ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine.
What is the SMILES notation for ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine?
The canonical SMILES for ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine is CC(=O)/C=C(\C)O.CC(=O)/C=C(\C)O.[H][C-]=C.[Ir].c1ccncc1.
What is the InChIKey of ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine?
The InChIKey is VTUDOTPXEOKUPW-AKVAXNCASA-N. The full InChI is InChI=1S/C5H5N.2C5H8O2.C2H3.Ir/c1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;1-2;/h1-5H;2*3,6H,1-2H3;1H,2H2;/q;;;-1;/b;2*4-3+;;.
What are the key properties of ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine?
ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine has a molecular weight of 498.60 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine is sourced from PubChem (CID 11634665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).