ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate

C9H14N2O3 — CID 91701017

IUPACethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate
SMILESCCOC(=O)C(C)C1=NCCNC1=O
InChIInChI=1S/C9H14N2O3/c1-3-14-9(13)6(2)7-8(12)11-5-4-10-7/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyFQDZSRPZFWCXDL-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.24
Rot. Bonds3

About ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate

ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate (PubChem CID 91701017) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate
PubChem CID91701017
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Nameethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate
SMILESCCOC(=O)C(C)C1=NCCNC1=O
InChIInChI=1S/C9H14N2O3/c1-3-14-9(13)6(2)7-8(12)11-5-4-10-7/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyFQDZSRPZFWCXDL-UHFFFAOYSA-N
XLogP-0.24
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2,5-dimethylpyrrole-3,4-dicarboxylate;hydrobromide
CID 13126145
ethyl 2,3-dioxopiperazine-1-carboxylate
CID 130136555
4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one
CID 123322697
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate
CID 18537760
ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate
CID 54154131
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 54692116
ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane
CID 161196394
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)propanoate
CID 79472097
ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate
CID 57456898
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate?
The IUPAC name of ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate (CID 91701017) is ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate?
The canonical SMILES for ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate is CCOC(=O)C(C)C1=NCCNC1=O.
What is the InChIKey of ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate?
The InChIKey is FQDZSRPZFWCXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-14-9(13)6(2)7-8(12)11-5-4-10-7/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate?
ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate has a molecular weight of 198.22 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-2,3-dihydro-1H-pyrazin-5-yl)propanoate is sourced from PubChem (CID 91701017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).