[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate

C11H12N4O4 — CID 2628622

IUPAC[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate
SMILESC=CCNC(=O)NC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C11H12N4O4/c1-2-3-14-11(18)15-9(16)7-19-10(17)8-6-12-4-5-13-8/h2,4-6H,1,3,7H2,(H2,14,15,16,18)
InChIKeyIJUNSNFHHGGSHR-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.35
Rot. Bonds5

About [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate (PubChem CID 2628622) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate
PubChem CID2628622
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate
SMILESC=CCNC(=O)NC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C11H12N4O4/c1-2-3-14-11(18)15-9(16)7-19-10(17)8-6-12-4-5-13-8/h2,4-6H,1,3,7H2,(H2,14,15,16,18)
InChIKeyIJUNSNFHHGGSHR-UHFFFAOYSA-N
XLogP-0.35
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate
CID 30402187
[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702375
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2079481
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27427785
[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985770
[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985513
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2119071
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2635010
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196665
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2,4-difluorobenzoate
CID 2630450
[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
CID 5035630

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate (CID 2628622) is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate is C=CCNC(=O)NC(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate?
The InChIKey is IJUNSNFHHGGSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-2-3-14-11(18)15-9(16)7-19-10(17)8-6-12-4-5-13-8/h2,4-6H,1,3,7H2,(H2,14,15,16,18).
What are the key properties of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate?
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate has a molecular weight of 264.24 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2628622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).