5-(2-methylpropanoyl)-1H-pyrazin-2-one

C8H10N2O2 — CID 118220483

IUPAC5-(2-methylpropanoyl)-1H-pyrazin-2-one
SMILESCC(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H10N2O2/c1-5(2)8(12)6-3-10-7(11)4-9-6/h3-5H,1-2H3,(H,10,11)
InChIKeyUBSDNXWFLNKLMO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.61
Rot. Bonds2

About 5-(2-methylpropanoyl)-1H-pyrazin-2-one

5-(2-methylpropanoyl)-1H-pyrazin-2-one (PubChem CID 118220483) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(2-methylpropanoyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(2-methylpropanoyl)-1H-pyrazin-2-one
PubChem CID118220483
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-(2-methylpropanoyl)-1H-pyrazin-2-one
SMILESCC(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H10N2O2/c1-5(2)8(12)6-3-10-7(11)4-9-6/h3-5H,1-2H3,(H,10,11)
InChIKeyUBSDNXWFLNKLMO-UHFFFAOYSA-N
XLogP0.61
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropanoyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(2-methylpropanoyl)-1H-pyrazin-2-one (CID 118220483) is 5-(2-methylpropanoyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(2-methylpropanoyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(2-methylpropanoyl)-1H-pyrazin-2-one is CC(C)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 5-(2-methylpropanoyl)-1H-pyrazin-2-one?
The InChIKey is UBSDNXWFLNKLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(2)8(12)6-3-10-7(11)4-9-6/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5-(2-methylpropanoyl)-1H-pyrazin-2-one?
5-(2-methylpropanoyl)-1H-pyrazin-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropanoyl)-1H-pyrazin-2-one is sourced from PubChem (CID 118220483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).