ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate

C16H20N2O3 — CID 19882081

IUPACethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate
SMILESCCOC(=O)CN1CC(C)(C)N=C(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c1-4-21-13(19)10-18-11-16(2,3)17-14(15(18)20)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKeyOHJWNKCUTRPTFX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.66
Rot. Bonds4

About ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate

ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate (PubChem CID 19882081) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate
PubChem CID19882081
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate
SMILESCCOC(=O)CN1CC(C)(C)N=C(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c1-4-21-13(19)10-18-11-16(2,3)17-14(15(18)20)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKeyOHJWNKCUTRPTFX-UHFFFAOYSA-N
XLogP1.66
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate?
The IUPAC name of ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate (CID 19882081) is ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate is CCOC(=O)CN1CC(C)(C)N=C(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate?
The InChIKey is OHJWNKCUTRPTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-21-13(19)10-18-11-16(2,3)17-14(15(18)20)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate?
ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate has a molecular weight of 288.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-dimethyl-6-oxo-5-phenyl-2H-pyrazin-1-yl)acetate is sourced from PubChem (CID 19882081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).