(3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate

C12H15NO2 — CID 163931242

IUPAC(3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate
SMILESC=Cc1c(C)nc(C)c(C)c1OC(C)=O
InChIInChI=1S/C12H15NO2/c1-6-11-9(4)13-8(3)7(2)12(11)15-10(5)14/h6H,1H2,2-5H3
InChIKeyRIVVZODBEITJAC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.58
Rot. Bonds2

About (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate

(3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate (PubChem CID 163931242) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate.

Molecular Properties

Compound Name(3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate
PubChem CID163931242
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate
SMILESC=Cc1c(C)nc(C)c(C)c1OC(C)=O
InChIInChI=1S/C12H15NO2/c1-6-11-9(4)13-8(3)7(2)12(11)15-10(5)14/h6H,1H2,2-5H3
InChIKeyRIVVZODBEITJAC-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate?
The IUPAC name of (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate (CID 163931242) is (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate.
What is the SMILES notation for (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate?
The canonical SMILES for (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate is C=Cc1c(C)nc(C)c(C)c1OC(C)=O.
What is the InChIKey of (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate?
The InChIKey is RIVVZODBEITJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-6-11-9(4)13-8(3)7(2)12(11)15-10(5)14/h6H,1H2,2-5H3.
What are the key properties of (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate?
(3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate has a molecular weight of 205.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate is sourced from PubChem (CID 163931242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).