(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate

C14H19NO3 — CID 54759672

IUPAC(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate
SMILESCC(=O)On1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C14H19NO3/c1-10-8-13(12-6-4-3-5-7-12)15(14(17)9-10)18-11(2)16/h8-9,12H,3-7H2,1-2H3
InChIKeyORULNPDGLIIGEX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds2

About (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate

(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate (PubChem CID 54759672) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate.

Molecular Properties

Compound Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate
PubChem CID54759672
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate
SMILESCC(=O)On1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C14H19NO3/c1-10-8-13(12-6-4-3-5-7-12)15(14(17)9-10)18-11(2)16/h8-9,12H,3-7H2,1-2H3
InChIKeyORULNPDGLIIGEX-UHFFFAOYSA-N
XLogP2.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate?
The IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate (CID 54759672) is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate.
What is the SMILES notation for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate?
The canonical SMILES for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate is CC(=O)On1c(C2CCCCC2)cc(C)cc1=O.
What is the InChIKey of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate?
The InChIKey is ORULNPDGLIIGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-8-13(12-6-4-3-5-7-12)15(14(17)9-10)18-11(2)16/h8-9,12H,3-7H2,1-2H3.
What are the key properties of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate?
(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate has a molecular weight of 249.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) acetate is sourced from PubChem (CID 54759672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).