[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate

C12H11N3O3 — CID 8850684

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C12H11N3O3/c1-8-5-15-10(6-14-8)12(17)18-7-11(16)9-3-2-4-13-9/h2-6,13H,7H2,1H3
InChIKeyYMCKHVAYDRWHIQ-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.15
Rot. Bonds4

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 8850684) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate
PubChem CID8850684
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C12H11N3O3/c1-8-5-15-10(6-14-8)12(17)18-7-11(16)9-3-2-4-13-9/h2-6,13H,7H2,1H3
InChIKeyYMCKHVAYDRWHIQ-UHFFFAOYSA-N
XLogP1.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate (CID 8850684) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2ccc[nH]2)cn1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is YMCKHVAYDRWHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8-5-15-10(6-14-8)12(17)18-7-11(16)9-3-2-4-13-9/h2-6,13H,7H2,1H3.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 8850684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).