(Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine

C15H16IrN2O2 — CID 58161115

IUPAC(Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine
SMILESCC(=O)/C=C(/C)O.[Ir].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5H8O2.Ir/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4(6)3-5(2)7;/h1-8H;3,6H,1-2H3;/b;4-3-;
InChIKeyGDZNXGSTXOJURB-LWFKIUJUSA-N
MW448.52 g/mol
LogP3.18
Rot. Bonds2

About (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine

(Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine (PubChem CID 58161115) has the molecular formula C15H16IrN2O2 and a molecular weight of 448.52 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine
PubChem CID58161115
Molecular FormulaC15H16IrN2O2
Molecular Weight448.52 g/mol
Exact Mass449.08
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine
SMILESCC(=O)/C=C(/C)O.[Ir].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5H8O2.Ir/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4(6)3-5(2)7;/h1-8H;3,6H,1-2H3;/b;4-3-;
InChIKeyGDZNXGSTXOJURB-LWFKIUJUSA-N
XLogP3.18
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine (CID 58161115) is (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine is CC(=O)/C=C(/C)O.[Ir].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine?
The InChIKey is GDZNXGSTXOJURB-LWFKIUJUSA-N. The full InChI is InChI=1S/C10H8N2.C5H8O2.Ir/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4(6)3-5(2)7;/h1-8H;3,6H,1-2H3;/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine?
(Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine has a molecular weight of 448.52 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;iridium;2-pyridin-2-ylpyridine is sourced from PubChem (CID 58161115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).