ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate

C11H18N2O4 — CID 11107525

IUPACethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OCC)CN=C1OCC
InChIInChI=1S/C11H18N2O4/c1-4-15-8-7-12-10(16-5-2)9(13-8)11(14)17-6-3/h9H,4-7H2,1-3H3
InChIKeyWXCQDAAMGBRNOQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.80
Rot. Bonds4

About ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate

ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate (PubChem CID 11107525) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate
PubChem CID11107525
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OCC)CN=C1OCC
InChIInChI=1S/C11H18N2O4/c1-4-15-8-7-12-10(16-5-2)9(13-8)11(14)17-6-3/h9H,4-7H2,1-3H3
InChIKeyWXCQDAAMGBRNOQ-UHFFFAOYSA-N
XLogP0.80
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethoxycarbonyl-2-methyl-2-oxazoline
CID 538229
Methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 10844497
ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 10924088
methyl (4S)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 29928452
(2S)-Ethyl-4-methyl-3,5-oxazolinecarboxylate
CID 10953777
Methyl 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 75480505
Ethyl 3,6-diethoxy-5-methyl-2,5-dihydropyrazine-2-carboxylate
CID 342004
(S)-Methyl 2-isopropyl-4,5-dihydrooxazole-4-carboxylate
CID 45096525
Diethyl 2-(1-ethoxyethylideneamino)propanedioate
CID 11481965
Methyl 2-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 12296658
Ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 13103673
methyl (4R)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 29928454

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate?
The IUPAC name of ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate (CID 11107525) is ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate?
The canonical SMILES for ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate is CCOC(=O)C1N=C(OCC)CN=C1OCC.
What is the InChIKey of ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate?
The InChIKey is WXCQDAAMGBRNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-15-8-7-12-10(16-5-2)9(13-8)11(14)17-6-3/h9H,4-7H2,1-3H3.
What are the key properties of ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate?
ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate has a molecular weight of 242.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-diethoxy-2,5-dihydropyrazine-2-carboxylate is sourced from PubChem (CID 11107525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).