[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate

C17H16N2O3 — CID 653324

IUPAC[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16N2O3/c20-16(11-22-17(21)15-10-18-7-8-19-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-10H,1-4,11H2
InChIKeyAWLOVTYSJPJICC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.40
Rot. Bonds4

About [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate (PubChem CID 653324) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate
PubChem CID653324
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16N2O3/c20-16(11-22-17(21)15-10-18-7-8-19-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-10H,1-4,11H2
InChIKeyAWLOVTYSJPJICC-UHFFFAOYSA-N
XLogP2.40
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate (CID 653324) is [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate?
The InChIKey is AWLOVTYSJPJICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(11-22-17(21)15-10-18-7-8-19-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-10H,1-4,11H2.
What are the key properties of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate?
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 653324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).