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

C15H13N3O3 — CID 2715390

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1cnccn1
InChIInChI=1S/C15H13N3O3/c19-14(10-21-15(20)12-9-16-6-7-17-12)18-8-5-11-3-1-2-4-13(11)18/h1-4,6-7,9H,5,8,10H2
InChIKeyLBQCZIGDWYMQFU-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.22
Rot. Bonds3

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2715390) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2715390
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1cnccn1
InChIInChI=1S/C15H13N3O3/c19-14(10-21-15(20)12-9-16-6-7-17-12)18-8-5-11-3-1-2-4-13(11)18/h1-4,6-7,9H,5,8,10H2
InChIKeyLBQCZIGDWYMQFU-UHFFFAOYSA-N
XLogP1.22
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734786
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2467912
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736542
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 16520788
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
CID 2429900
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] anthracene-9-carboxylate
CID 4044889
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27065887
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2715336

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate (CID 2715390) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate is O=C(OCC(=O)N1CCc2ccccc21)c1cnccn1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is LBQCZIGDWYMQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(10-21-15(20)12-9-16-6-7-17-12)18-8-5-11-3-1-2-4-13(11)18/h1-4,6-7,9H,5,8,10H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2715390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).