4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine

C15H16N2O2Pt — CID 148715736

IUPAC4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine
SMILESCC(=O)C=C(C)O.[Pt].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5H8O2.Pt/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;
InChIKeyMCNLMVCLEYSQRL-UHFFFAOYSA-N
MW451.38 g/mol
LogP3.18
Rot. Bonds2

About 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine

4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine (PubChem CID 148715736) has the molecular formula C15H16N2O2Pt and a molecular weight of 451.38 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine
PubChem CID148715736
Molecular FormulaC15H16N2O2Pt
Molecular Weight451.38 g/mol
Exact Mass451.09
IUPAC Name4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine
SMILESCC(=O)C=C(C)O.[Pt].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5H8O2.Pt/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;
InChIKeyMCNLMVCLEYSQRL-UHFFFAOYSA-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 ≤ 500451.38
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 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine?
The IUPAC name of 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine (CID 148715736) is 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine?
The canonical SMILES for 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine is CC(=O)C=C(C)O.[Pt].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine?
The InChIKey is MCNLMVCLEYSQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C5H8O2.Pt/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;.
What are the key properties of 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine?
4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine has a molecular weight of 451.38 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 4-hydroxypent-3-en-2-one;platinum;2-pyridin-2-ylpyridine is sourced from PubChem (CID 148715736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).