methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate

C11H12N2O3 — CID 177196857

IUPACmethyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(C2=CCOCC2)n1
InChIInChI=1S/C11H12N2O3/c1-15-11(14)10-7-12-6-9(13-10)8-2-4-16-5-3-8/h2,6-7H,3-5H2,1H3
InChIKeyABSMOVRTWYEDGX-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.07
Rot. Bonds2

About methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate

methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate (PubChem CID 177196857) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate
PubChem CID177196857
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(C2=CCOCC2)n1
InChIInChI=1S/C11H12N2O3/c1-15-11(14)10-7-12-6-9(13-10)8-2-4-16-5-3-8/h2,6-7H,3-5H2,1H3
InChIKeyABSMOVRTWYEDGX-UHFFFAOYSA-N
XLogP1.07
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate (CID 177196857) is methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(C2=CCOCC2)n1.
What is the InChIKey of methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate?
The InChIKey is ABSMOVRTWYEDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-11(14)10-7-12-6-9(13-10)8-2-4-16-5-3-8/h2,6-7H,3-5H2,1H3.
What are the key properties of methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate?
methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,6-dihydro-2H-pyran-4-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 177196857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).