(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum

C16H19N2O2Pt- — CID 58401352

IUPAC(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum
SMILESCC(=O)/C(C)=C(/C)O.Cn1ccnc1-c1[c-]cccc1.[Pt]
InChIInChI=1S/C10H9N2.C6H10O2.Pt/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(5(2)7)6(3)8;/h2-5,7-8H,1H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyIWNSBEUPMFXERM-FXHNQCOHSA-N
MW466.42 g/mol
LogP3.31
Rot. Bonds2

About (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum

(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum (PubChem CID 58401352) has the molecular formula C16H19N2O2Pt- and a molecular weight of 466.42 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum
PubChem CID58401352
Molecular FormulaC16H19N2O2Pt-
Molecular Weight466.42 g/mol
Exact Mass466.11
IUPAC Name(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum
SMILESCC(=O)/C(C)=C(/C)O.Cn1ccnc1-c1[c-]cccc1.[Pt]
InChIInChI=1S/C10H9N2.C6H10O2.Pt/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(5(2)7)6(3)8;/h2-5,7-8H,1H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyIWNSBEUPMFXERM-FXHNQCOHSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(1E,4E,6E)-1,7-bis[1-(3-methylbut-2-enyl)imidazol-2-yl]hepta-1,4,6-trien-3-one
CID 127040215
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58517613
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
CID 58517871
1-Methyl-2-(2-methylimidazol-1-yl)carbazol-4-one
CID 21644013
1-[(2-Methylimidazol-1-yl)methyl]carbazol-4-one;dihydrate;hydrochloride
CID 21658610
1-[(2-Methylimidazol-1-yl)methyl]carbazol-4-one
CID 21658611
(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-2-phenylimidazole
CID 57596145
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 57596154
2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 57596156
(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole;cyanide
CID 57973054
(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401306
(Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum
CID 58401404

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum?
The IUPAC name of (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum (CID 58401352) is (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum.
What is the SMILES notation for (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum?
The canonical SMILES for (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum is CC(=O)/C(C)=C(/C)O.Cn1ccnc1-c1[c-]cccc1.[Pt].
What is the InChIKey of (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum?
The InChIKey is IWNSBEUPMFXERM-FXHNQCOHSA-N. The full InChI is InChI=1S/C10H9N2.C6H10O2.Pt/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(5(2)7)6(3)8;/h2-5,7-8H,1H3;7H,1-3H3;/q-1;;/b;5-4-;.
What are the key properties of (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum?
(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum has a molecular weight of 466.42 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum is sourced from PubChem (CID 58401352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).