(2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide

C10H16BrNO4 — CID 45261211

IUPAC(2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)COC(=O)C1=CCNCC1
InChIInChI=1S/C10H15NO4.BrH/c1-2-14-9(12)7-15-10(13)8-3-5-11-6-4-8;/h3,11H,2,4-7H2,1H3;1H
InChIKeyNROSPPJETVAFHT-UHFFFAOYSA-N
MW294.15 g/mol
LogP0.59
Rot. Bonds4

About (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide

(2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide (PubChem CID 45261211) has the molecular formula C10H16BrNO4 and a molecular weight of 294.15 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide
PubChem CID45261211
Molecular FormulaC10H16BrNO4
Molecular Weight294.15 g/mol
Exact Mass293.03
IUPAC Name(2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)COC(=O)C1=CCNCC1
InChIInChI=1S/C10H15NO4.BrH/c1-2-14-9(12)7-15-10(13)8-3-5-11-6-4-8;/h3,11H,2,4-7H2,1H3;1H
InChIKeyNROSPPJETVAFHT-UHFFFAOYSA-N
XLogP0.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide?
The IUPAC name of (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide (CID 45261211) is (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide is Br.CCOC(=O)COC(=O)C1=CCNCC1.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide?
The InChIKey is NROSPPJETVAFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4.BrH/c1-2-14-9(12)7-15-10(13)8-3-5-11-6-4-8;/h3,11H,2,4-7H2,1H3;1H.
What are the key properties of (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide?
(2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide has a molecular weight of 294.15 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrobromide is sourced from PubChem (CID 45261211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).