[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate

C15H11N3O3 — CID 2689640

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1cnccn1
InChIInChI=1S/C15H11N3O3/c19-14(9-21-15(20)13-8-16-5-6-17-13)11-7-18-12-4-2-1-3-10(11)12/h1-8,18H,9H2
InChIKeyIUFGZIAYBPBGIW-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.00
Rot. Bonds4

About [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate

[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2689640) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2689640
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1cnccn1
InChIInChI=1S/C15H11N3O3/c19-14(9-21-15(20)13-8-16-5-6-17-13)11-7-18-12-4-2-1-3-10(11)12/h1-8,18H,9H2
InChIKeyIUFGZIAYBPBGIW-UHFFFAOYSA-N
XLogP2.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate
CID 3384233
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-difluorobenzoate
CID 4030553
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736590
[2-(1H-indol-3-yl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 3255141
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2453041
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2453233
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2689726

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate (CID 2689640) is [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate is O=C(OCC(=O)c1c[nH]c2ccccc12)c1cnccn1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is IUFGZIAYBPBGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-14(9-21-15(20)13-8-16-5-6-17-13)11-7-18-12-4-2-1-3-10(11)12/h1-8,18H,9H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 281.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2689640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).