(1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate

C9H15NO2 — CID 91622642

IUPAC(1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate
SMILESCC(=O)OC1(C)C=CCN(C)C1
InChIInChI=1S/C9H15NO2/c1-8(11)12-9(2)5-4-6-10(3)7-9/h4-5H,6-7H2,1-3H3
InChIKeyYYDBDUTUZLDYKZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds1

About (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate

(1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate (PubChem CID 91622642) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate
PubChem CID91622642
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate
SMILESCC(=O)OC1(C)C=CCN(C)C1
InChIInChI=1S/C9H15NO2/c1-8(11)12-9(2)5-4-6-10(3)7-9/h4-5H,6-7H2,1-3H3
InChIKeyYYDBDUTUZLDYKZ-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1,2,3,6-tetrahydropyridin-3-yl acetate
CID 54131508
tert-butyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10879283
[(3S)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146627800
(1-methyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate
CID 146627801
(3-Deuterio-1-methyl-2,6-dihydropyridin-3-yl) 2,2-dimethylpropanoate
CID 146627802
(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate
CID 146627821
[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146627826
(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl) 2,2-dimethylpropanoate
CID 146628721
tert-butyl 2-(3,6-dihydro-2H-pyridin-1-yl)acetate
CID 149998277
3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 21874283
tert-butyl (3R)-3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 101218941
tert-butyl 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)acetate
CID 101221053

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate?
The IUPAC name of (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate (CID 91622642) is (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate.
What is the SMILES notation for (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate?
The canonical SMILES for (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate is CC(=O)OC1(C)C=CCN(C)C1.
What is the InChIKey of (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate?
The InChIKey is YYDBDUTUZLDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(11)12-9(2)5-4-6-10(3)7-9/h4-5H,6-7H2,1-3H3.
What are the key properties of (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate?
(1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate has a molecular weight of 169.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dihydropyridin-3-yl) acetate is sourced from PubChem (CID 91622642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).