1-ethenylpyrimidin-2-one

C6H6N2O — CID 22929248

IUPAC1-ethenylpyrimidin-2-one
SMILESC=Cn1cccnc1=O
InChIInChI=1S/C6H6N2O/c1-2-8-5-3-4-7-6(8)9/h2-5H,1H2
InChIKeyCIMAQFPYEAXYSB-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.34
Rot. Bonds1

About 1-ethenylpyrimidin-2-one

1-ethenylpyrimidin-2-one (PubChem CID 22929248) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 1-ethenylpyrimidin-2-one.

Molecular Properties

Compound Name1-ethenylpyrimidin-2-one
PubChem CID22929248
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name1-ethenylpyrimidin-2-one
SMILESC=Cn1cccnc1=O
InChIInChI=1S/C6H6N2O/c1-2-8-5-3-4-7-6(8)9/h2-5H,1H2
InChIKeyCIMAQFPYEAXYSB-UHFFFAOYSA-N
XLogP0.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrimidin-2-one?
The IUPAC name of 1-ethenylpyrimidin-2-one (CID 22929248) is 1-ethenylpyrimidin-2-one.
What is the SMILES notation for 1-ethenylpyrimidin-2-one?
The canonical SMILES for 1-ethenylpyrimidin-2-one is C=Cn1cccnc1=O.
What is the InChIKey of 1-ethenylpyrimidin-2-one?
The InChIKey is CIMAQFPYEAXYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-8-5-3-4-7-6(8)9/h2-5H,1H2.
What are the key properties of 1-ethenylpyrimidin-2-one?
1-ethenylpyrimidin-2-one has a molecular weight of 122.13 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrimidin-2-one is sourced from PubChem (CID 22929248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).