[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate

C14H10N2O5 — CID 7985579

IUPAC[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10N2O5/c17-11(7-19-14(18)10-6-15-3-4-16-10)9-1-2-12-13(5-9)21-8-20-12/h1-6H,7-8H2
InChIKeyZPRGVIOHQAYAGR-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.25
Rot. Bonds4

About [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7985579) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7985579
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10N2O5/c17-11(7-19-14(18)10-6-15-3-4-16-10)9-1-2-12-13(5-9)21-8-20-12/h1-6H,7-8H2
InChIKeyZPRGVIOHQAYAGR-UHFFFAOYSA-N
XLogP1.25
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 9196481
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413749
N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
CID 17388270
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 4828858
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985432
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 7837869
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507555
1,3-benzodioxol-5-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816082
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954603
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2,2-dimethylpropanoate
CID 135086265
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8860445
1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone
CID 64601657

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate (CID 7985579) is [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)c1ccc2c(c1)OCO2.
What is the InChIKey of [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is ZPRGVIOHQAYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-11(7-19-14(18)10-6-15-3-4-16-10)9-1-2-12-13(5-9)21-8-20-12/h1-6H,7-8H2.
What are the key properties of [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 286.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).