bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate

C14H16N2O4 — CID 146258355

IUPACbis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate
SMILESC=CCOC(=O)c1nc(C)c(C(=O)OCC=C)nc1C
InChIInChI=1S/C14H16N2O4/c1-5-7-19-13(17)11-9(3)16-12(10(4)15-11)14(18)20-8-6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeyKJPUSYGIYXYWHR-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.78
Rot. Bonds6

About bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate

bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate (PubChem CID 146258355) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate
PubChem CID146258355
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namebis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate
SMILESC=CCOC(=O)c1nc(C)c(C(=O)OCC=C)nc1C
InChIInChI=1S/C14H16N2O4/c1-5-7-19-13(17)11-9(3)16-12(10(4)15-11)14(18)20-8-6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeyKJPUSYGIYXYWHR-UHFFFAOYSA-N
XLogP1.78
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-5-prop-2-enoxycarbonylpyrimidine-4-carboxylic acid
CID 42742224
prop-2-enyl 1-ethyl-5-methyltriazole-4-carboxylate
CID 103114216
prop-2-enyl 2,4,6-trimethylbenzoate
CID 15783311
prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate
CID 142704119
prop-2-enyl pyrimidine-5-carboxylate
CID 67459834
prop-2-enyl 1-butan-2-yl-5-methyltriazole-4-carboxylate
CID 103114328
prop-2-enyl 1-(cyclopropylmethyl)-5-methyltriazole-4-carboxylate
CID 103114103
prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
CID 110441292
bis(prop-2-enyl) pyridine-2,3-dicarboxylate
CID 18947519
prop-2-enyl 5-sulfanylidene-1,2-dihydro-1,2,4-triazole-3-carboxylate
CID 169098297
prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 118992227
3-O-ethyl 4-O-prop-2-enyl 2-methylquinoline-3,4-dicarboxylate
CID 177389903

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate (CID 146258355) is bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate is C=CCOC(=O)c1nc(C)c(C(=O)OCC=C)nc1C.
What is the InChIKey of bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate?
The InChIKey is KJPUSYGIYXYWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-5-7-19-13(17)11-9(3)16-12(10(4)15-11)14(18)20-8-6-2/h5-6H,1-2,7-8H2,3-4H3.
What are the key properties of bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate?
bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate is sourced from PubChem (CID 146258355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).