1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc

C11H14NO2Zn- — CID 168887730

IUPAC1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc
SMILESCn1cc(C2C[CH-]CCO2)ccc1=O.[Zn]
InChIInChI=1S/C11H14NO2.Zn/c1-12-8-9(5-6-11(12)13)10-4-2-3-7-14-10;/h2,5-6,8,10H,3-4,7H2,1H3;/q-1;
InChIKeyVTRNPAGJJOASPI-UHFFFAOYSA-N
MW257.63 g/mol
LogP1.44
Rot. Bonds1

About 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc

1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc (PubChem CID 168887730) has the molecular formula C11H14NO2Zn- and a molecular weight of 257.63 g/mol. Its IUPAC name is 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc.

Molecular Properties

Compound Name1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc
PubChem CID168887730
Molecular FormulaC11H14NO2Zn-
Molecular Weight257.63 g/mol
Exact Mass256.03
IUPAC Name1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc
SMILESCn1cc(C2C[CH-]CCO2)ccc1=O.[Zn]
InChIInChI=1S/C11H14NO2.Zn/c1-12-8-9(5-6-11(12)13)10-4-2-3-7-14-10;/h2,5-6,8,10H,3-4,7H2,1H3;/q-1;
InChIKeyVTRNPAGJJOASPI-UHFFFAOYSA-N
XLogP1.44
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc?
The IUPAC name of 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc (CID 168887730) is 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc.
What is the SMILES notation for 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc?
The canonical SMILES for 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc is Cn1cc(C2C[CH-]CCO2)ccc1=O.[Zn].
What is the InChIKey of 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc?
The InChIKey is VTRNPAGJJOASPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2.Zn/c1-12-8-9(5-6-11(12)13)10-4-2-3-7-14-10;/h2,5-6,8,10H,3-4,7H2,1H3;/q-1;.
What are the key properties of 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc?
1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc has a molecular weight of 257.63 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyridin-2-one;zinc is sourced from PubChem (CID 168887730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).