2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate

C12H14N2O3 — CID 11195670

IUPAC2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C12H14N2O3/c1-8-6-9(2)14(4-5-17-10(3)15)12(16)11(8)7-13/h6H,4-5H2,1-3H3
InChIKeyYHNLZZTXWIXDPX-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.90
Rot. Bonds3

About 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate (PubChem CID 11195670) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate.

Molecular Properties

Compound Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate
PubChem CID11195670
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C12H14N2O3/c1-8-6-9(2)14(4-5-17-10(3)15)12(16)11(8)7-13/h6H,4-5H2,1-3H3
InChIKeyYHNLZZTXWIXDPX-UHFFFAOYSA-N
XLogP0.90
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate?
The IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate (CID 11195670) is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate.
What is the SMILES notation for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate?
The canonical SMILES for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate is CC(=O)OCCn1c(C)cc(C)c(C#N)c1=O.
What is the InChIKey of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate?
The InChIKey is YHNLZZTXWIXDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-6-9(2)14(4-5-17-10(3)15)12(16)11(8)7-13/h6H,4-5H2,1-3H3.
What are the key properties of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate?
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate has a molecular weight of 234.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate is sourced from PubChem (CID 11195670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).