ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate

C9H16N2O3 — CID 70598602

IUPACethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCOC(=O)N1CCN=C(OCC)C1
InChIInChI=1S/C9H16N2O3/c1-3-13-8-7-11(6-5-10-8)9(12)14-4-2/h3-7H2,1-2H3
InChIKeyCWCPCQIFBQOCER-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.89
Rot. Bonds2

About ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate

ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 70598602) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID70598602
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCOC(=O)N1CCN=C(OCC)C1
InChIInChI=1S/C9H16N2O3/c1-3-13-8-7-11(6-5-10-8)9(12)14-4-2/h3-7H2,1-2H3
InChIKeyCWCPCQIFBQOCER-UHFFFAOYSA-N
XLogP0.89
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 70598602) is ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate is CCOC(=O)N1CCN=C(OCC)C1.
What is the InChIKey of ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is CWCPCQIFBQOCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-13-8-7-11(6-5-10-8)9(12)14-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate?
ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 200.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 70598602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).