ethyl 2-methyl-2-pyrazin-2-ylpropanoate

C10H14N2O2 — CID 63967744

IUPACethyl 2-methyl-2-pyrazin-2-ylpropanoate
SMILESCCOC(=O)C(C)(C)c1cnccn1
InChIInChI=1S/C10H14N2O2/c1-4-14-9(13)10(2,3)8-7-11-5-6-12-8/h5-7H,4H2,1-3H3
InChIKeyUCAWEFMZTJVCPJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.32
Rot. Bonds3

About ethyl 2-methyl-2-pyrazin-2-ylpropanoate

ethyl 2-methyl-2-pyrazin-2-ylpropanoate (PubChem CID 63967744) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 2-methyl-2-pyrazin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-pyrazin-2-ylpropanoate
PubChem CID63967744
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 2-methyl-2-pyrazin-2-ylpropanoate
SMILESCCOC(=O)C(C)(C)c1cnccn1
InChIInChI=1S/C10H14N2O2/c1-4-14-9(13)10(2,3)8-7-11-5-6-12-8/h5-7H,4H2,1-3H3
InChIKeyUCAWEFMZTJVCPJ-UHFFFAOYSA-N
XLogP1.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate
CID 65236563
ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate
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ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate
CID 143018916
ethyl 2-methyl-2-(6-methyl-3-pyridinyl)propanoate
CID 63158204
methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate
CID 66099125
(2R)-2-amino-2-pyrazin-2-ylpropan-1-ol
CID 55292207
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
ethyl 2-(1H-imidazol-5-yl)-2-methylpropanoate;hydrochloride
CID 155858690
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
2-[(2S)-2-methoxybutan-2-yl]pyrazine
CID 97049922
ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate
CID 71742853

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-pyrazin-2-ylpropanoate?
The IUPAC name of ethyl 2-methyl-2-pyrazin-2-ylpropanoate (CID 63967744) is ethyl 2-methyl-2-pyrazin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-pyrazin-2-ylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-pyrazin-2-ylpropanoate is CCOC(=O)C(C)(C)c1cnccn1.
What is the InChIKey of ethyl 2-methyl-2-pyrazin-2-ylpropanoate?
The InChIKey is UCAWEFMZTJVCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-14-9(13)10(2,3)8-7-11-5-6-12-8/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-pyrazin-2-ylpropanoate?
ethyl 2-methyl-2-pyrazin-2-ylpropanoate has a molecular weight of 194.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-pyrazin-2-ylpropanoate is sourced from PubChem (CID 63967744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).