ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate

C12H19NO4 — CID 3304100

IUPACethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCCOC(=O)CN1CC=C(C(=O)OCC)CC1
InChIInChI=1S/C12H19NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h5H,3-4,6-9H2,1-2H3
InChIKeyODUPZORFYZYCQV-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds5

About ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate

ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 3304100) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID3304100
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nameethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCCOC(=O)CN1CC=C(C(=O)OCC)CC1
InChIInChI=1S/C12H19NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h5H,3-4,6-9H2,1-2H3
InChIKeyODUPZORFYZYCQV-UHFFFAOYSA-N
XLogP0.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 566021
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
ethyl 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridine-4-carboxylate
CID 134158951
ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 2-(2-sulfanylidenepyrrolidin-1-yl)acetate
CID 71395056
ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 13067814
ethyl 2-(7-azaspiro[3.5]nonan-7-yl)acetate
CID 71244403
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
CID 115766428
ethyl 1-butylsulfanyl-2,5-dihydropyrrole-3-carboxylate
CID 145004337
ethyl 5,6-dihydroimidazo[1,5-a]pyridine-7-carboxylate
CID 10750263

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate (CID 3304100) is ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate is CCOC(=O)CN1CC=C(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is ODUPZORFYZYCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h5H,3-4,6-9H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate?
ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 3304100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).