[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate

C15H17N3O3 — CID 2540926

IUPAC[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cn1
InChIInChI=1S/C15H17N3O3/c1-9-6-17-13(7-16-9)15(20)21-8-14(19)12-5-10(2)18(4)11(12)3/h5-7H,8H2,1-4H3
InChIKeyGMNGEWNEMFVGEW-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.78
Rot. Bonds4

About [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2540926) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2540926
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cn1
InChIInChI=1S/C15H17N3O3/c1-9-6-17-13(7-16-9)15(20)21-8-14(19)12-5-10(2)18(4)11(12)3/h5-7H,8H2,1-4H3
InChIKeyGMNGEWNEMFVGEW-UHFFFAOYSA-N
XLogP1.78
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate (CID 2540926) is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cn1.
What is the InChIKey of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is GMNGEWNEMFVGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-6-17-13(7-16-9)15(20)21-8-14(19)12-5-10(2)18(4)11(12)3/h5-7H,8H2,1-4H3.
What are the key properties of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate?
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2540926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).