5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane

C11H16N2O — CID 142953926

IUPAC5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane
SMILESC=Cc1nc(C)c(=O)[nH]c1C=C.CC
InChIInChI=1S/C9H10N2O.C2H6/c1-4-7-8(5-2)11-9(12)6(3)10-7;1-2/h4-5H,1-2H2,3H3,(H,11,12);1-2H3
InChIKeyVTNXTKPIUVKRGV-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.39
Rot. Bonds2

About 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane

5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane (PubChem CID 142953926) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane
PubChem CID142953926
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane
SMILESC=Cc1nc(C)c(=O)[nH]c1C=C.CC
InChIInChI=1S/C9H10N2O.C2H6/c1-4-7-8(5-2)11-9(12)6(3)10-7;1-2/h4-5H,1-2H2,3H3,(H,11,12);1-2H3
InChIKeyVTNXTKPIUVKRGV-UHFFFAOYSA-N
XLogP2.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane?
The IUPAC name of 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane (CID 142953926) is 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane is C=Cc1nc(C)c(=O)[nH]c1C=C.CC.
What is the InChIKey of 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane?
The InChIKey is VTNXTKPIUVKRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-4-7-8(5-2)11-9(12)6(3)10-7;1-2/h4-5H,1-2H2,3H3,(H,11,12);1-2H3.
What are the key properties of 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane?
5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane has a molecular weight of 192.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-3-methyl-1H-pyrazin-2-one;ethane is sourced from PubChem (CID 142953926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).