[5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate

C14H19NO3 — CID 144768866

IUPAC[5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate
SMILESC=C(C)OCc1c(CC)cnc(C)c1OC(C)=O
InChIInChI=1S/C14H19NO3/c1-6-12-7-15-10(4)14(18-11(5)16)13(12)8-17-9(2)3/h7H,2,6,8H2,1,3-5H3
InChIKeyUIFPQVGRGLSZEE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.93
Rot. Bonds5

About [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate

[5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate (PubChem CID 144768866) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate.

Molecular Properties

Compound Name[5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate
PubChem CID144768866
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate
SMILESC=C(C)OCc1c(CC)cnc(C)c1OC(C)=O
InChIInChI=1S/C14H19NO3/c1-6-12-7-15-10(4)14(18-11(5)16)13(12)8-17-9(2)3/h7H,2,6,8H2,1,3-5H3
InChIKeyUIFPQVGRGLSZEE-UHFFFAOYSA-N
XLogP2.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate
CID 122642714
[3-acetyloxy-2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-4-pyridinyl]methyl acetate
CID 122642382
[4-(acetamidomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate
CID 139835222
[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate
CID 11769724
methyl 2-[4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]acetate
CID 137357201
(2,6-diethyl-4-methylphenyl) acetate
CID 68505166
[3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate
CID 175565462
[5-ethoxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methanol
CID 15613384
(2,6-diethylphenyl) acetate
CID 23273842
(2-carboxyoxy-4,5-diethyl-3-pyridinyl) hydrogen carbonate
CID 76851845
5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine
CID 14174287
ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate
CID 129116376

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate?
The IUPAC name of [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate (CID 144768866) is [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate.
What is the SMILES notation for [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate?
The canonical SMILES for [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate is C=C(C)OCc1c(CC)cnc(C)c1OC(C)=O.
What is the InChIKey of [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate?
The InChIKey is UIFPQVGRGLSZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-6-12-7-15-10(4)14(18-11(5)16)13(12)8-17-9(2)3/h7H,2,6,8H2,1,3-5H3.
What are the key properties of [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate?
[5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate has a molecular weight of 249.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-methyl-4-(prop-1-en-2-yloxymethyl)-3-pyridinyl] acetate is sourced from PubChem (CID 144768866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).