ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate

C9H15NO2 — CID 566021

IUPACethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CCN(C)CC1
InChIInChI=1S/C9H15NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h4H,3,5-7H2,1-2H3
InChIKeyGKMQAGZRPQBLHG-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds2

About ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate

ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 566021) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID566021
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CCN(C)CC1
InChIInChI=1S/C9H15NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h4H,3,5-7H2,1-2H3
InChIKeyGKMQAGZRPQBLHG-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate
CID 3304100
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
N-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 130205235
ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate
CID 20761743
ethyl 5,6-dihydroimidazo[1,5-a]pyridine-7-carboxylate
CID 10750263
ethyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 130205049
ethyl cycloundecene-1-carboxylate
CID 154164177
(1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine
CID 143084618
ethyl 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridine-4-carboxylate
CID 134158951
1,4-dimethyl-3,6-dihydro-2H-pyridine;propane
CID 178031639
1-O-tert-butyl 4-O-ethyl 2,3-dihydropyrrole-1,4-dicarboxylate
CID 11806783
ethyl 5,6-dihydroindolizine-7-carboxylate
CID 24972449

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate (CID 566021) is ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate is CCOC(=O)C1=CCN(C)CC1.
What is the InChIKey of ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is GKMQAGZRPQBLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h4H,3,5-7H2,1-2H3.
What are the key properties of ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 566021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).