(1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate

C14H12N2O3 — CID 24687258

IUPAC(1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate
SMILESCC(OC(=O)c1cnccn1)C(=O)c1ccccc1
InChIInChI=1S/C14H12N2O3/c1-10(13(17)11-5-3-2-4-6-11)19-14(18)12-9-15-7-8-16-12/h2-10H,1H3
InChIKeyJHZNNNKBNCYECR-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.90
Rot. Bonds4

About (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate

(1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate (PubChem CID 24687258) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate
PubChem CID24687258
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name(1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate
SMILESCC(OC(=O)c1cnccn1)C(=O)c1ccccc1
InChIInChI=1S/C14H12N2O3/c1-10(13(17)11-5-3-2-4-6-11)19-14(18)12-9-15-7-8-16-12/h2-10H,1H3
InChIKeyJHZNNNKBNCYECR-UHFFFAOYSA-N
XLogP1.90
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate (CID 24687258) is (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate is CC(OC(=O)c1cnccn1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate?
The InChIKey is JHZNNNKBNCYECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10(13(17)11-5-3-2-4-6-11)19-14(18)12-9-15-7-8-16-12/h2-10H,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate?
(1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate is sourced from PubChem (CID 24687258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).