methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate

C9H10N2O2 — CID 167450839

IUPACmethyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
SMILESC=C(C)c1nccnc1C(=O)OC
InChIInChI=1S/C9H10N2O2/c1-6(2)7-8(9(12)13-3)11-5-4-10-7/h4-5H,1H2,2-3H3
InChIKeyOHPORLWETSMAHQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.30
Rot. Bonds2

About methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate

methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate (PubChem CID 167450839) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
PubChem CID167450839
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namemethyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
SMILESC=C(C)c1nccnc1C(=O)OC
InChIInChI=1S/C9H10N2O2/c1-6(2)7-8(9(12)13-3)11-5-4-10-7/h4-5H,1H2,2-3H3
InChIKeyOHPORLWETSMAHQ-UHFFFAOYSA-N
XLogP1.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate (CID 167450839) is methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate is C=C(C)c1nccnc1C(=O)OC.
What is the InChIKey of methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate?
The InChIKey is OHPORLWETSMAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(2)7-8(9(12)13-3)11-5-4-10-7/h4-5H,1H2,2-3H3.
What are the key properties of methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate?
methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate is sourced from PubChem (CID 167450839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).