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

C11H17NO4 — CID 15565780

IUPACmethyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)CC1=CCN(C(=O)OC)CC1
InChIInChI=1S/C11H17NO4/c1-3-16-10(13)8-9-4-6-12(7-5-9)11(14)15-2/h4H,3,5-8H2,1-2H3
InChIKeyDNGQRUFEDAELFP-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.34
Rot. Bonds3

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

methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 15565780) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID15565780
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)CC1=CCN(C(=O)OC)CC1
InChIInChI=1S/C11H17NO4/c1-3-16-10(13)8-9-4-6-12(7-5-9)11(14)15-2/h4H,3,5-8H2,1-2H3
InChIKeyDNGQRUFEDAELFP-UHFFFAOYSA-N
XLogP1.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 12674338
benzyl 4-(2-methoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59555173
4-(3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 67133862
ethyl 4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 13067814
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 70614874
methyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 57230016
ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12582758
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 166757799
ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
CID 115766428
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 15565780) is methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)CC1=CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is DNGQRUFEDAELFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-16-10(13)8-9-4-6-12(7-5-9)11(14)15-2/h4H,3,5-8H2,1-2H3.
What are the key properties of methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 15565780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).