zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one

C14H17NO5Zn+2 — CID 158770174

IUPACzinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one
SMILESCCc1occc(=O)c1O.CCn1cccc(O)c1=O.[Zn+2]
InChIInChI=1S/C7H9NO2.C7H8O3.Zn/c1-2-8-5-3-4-6(9)7(8)10;1-2-6-7(9)5(8)3-4-10-6;/h3-5,9H,2H2,1H3;3-4,9H,2H2,1H3;/q;;+2
InChIKeyIPTODZNJXIDMKP-UHFFFAOYSA-N
MW344.68 g/mol
LogP1.48
Rot. Bonds2

About zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one

zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one (PubChem CID 158770174) has the molecular formula C14H17NO5Zn+2 and a molecular weight of 344.68 g/mol. Its IUPAC name is zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one.

Molecular Properties

Compound Namezinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one
PubChem CID158770174
Molecular FormulaC14H17NO5Zn+2
Molecular Weight344.68 g/mol
Exact Mass343.04
IUPAC Namezinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one
SMILESCCc1occc(=O)c1O.CCn1cccc(O)c1=O.[Zn+2]
InChIInChI=1S/C7H9NO2.C7H8O3.Zn/c1-2-8-5-3-4-6(9)7(8)10;1-2-6-7(9)5(8)3-4-10-6;/h3-5,9H,2H2,1H3;3-4,9H,2H2,1H3;/q;;+2
InChIKeyIPTODZNJXIDMKP-UHFFFAOYSA-N
XLogP1.48
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one?
The IUPAC name of zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one (CID 158770174) is zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one.
What is the SMILES notation for zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one?
The canonical SMILES for zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one is CCc1occc(=O)c1O.CCn1cccc(O)c1=O.[Zn+2].
What is the InChIKey of zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one?
The InChIKey is IPTODZNJXIDMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C7H8O3.Zn/c1-2-8-5-3-4-6(9)7(8)10;1-2-6-7(9)5(8)3-4-10-6;/h3-5,9H,2H2,1H3;3-4,9H,2H2,1H3;/q;;+2.
What are the key properties of zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one?
zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one has a molecular weight of 344.68 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-ethyl-3-hydroxypyran-4-one;1-ethyl-3-hydroxypyridin-2-one is sourced from PubChem (CID 158770174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).