3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one

C16H18N2O2 — CID 141266848

IUPAC3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one
SMILESC=Cc1cc(C(C)(C)C)cc(-c2ncc[nH]c2=O)c1O
InChIInChI=1S/C16H18N2O2/c1-5-10-8-11(16(2,3)4)9-12(14(10)19)13-15(20)18-7-6-17-13/h5-9,19H,1H2,2-4H3,(H,18,20)
InChIKeyBKCYXHBAOPGZQU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.08
Rot. Bonds2

About 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one

3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one (PubChem CID 141266848) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one
PubChem CID141266848
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one
SMILESC=Cc1cc(C(C)(C)C)cc(-c2ncc[nH]c2=O)c1O
InChIInChI=1S/C16H18N2O2/c1-5-10-8-11(16(2,3)4)9-12(14(10)19)13-15(20)18-7-6-17-13/h5-9,19H,1H2,2-4H3,(H,18,20)
InChIKeyBKCYXHBAOPGZQU-UHFFFAOYSA-N
XLogP3.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one (CID 141266848) is 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one is C=Cc1cc(C(C)(C)C)cc(-c2ncc[nH]c2=O)c1O.
What is the InChIKey of 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one?
The InChIKey is BKCYXHBAOPGZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-5-10-8-11(16(2,3)4)9-12(14(10)19)13-15(20)18-7-6-17-13/h5-9,19H,1H2,2-4H3,(H,18,20).
What are the key properties of 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one?
3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one has a molecular weight of 270.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-3-ethenyl-2-hydroxyphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 141266848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).