1-ethenyl-5-methylpyridin-2-one

C8H9NO — CID 14323033

IUPAC1-ethenyl-5-methylpyridin-2-one
SMILESC=Cn1cc(C)ccc1=O
InChIInChI=1S/C8H9NO/c1-3-9-6-7(2)4-5-8(9)10/h3-6H,1H2,2H3
InChIKeyHWFAWOQKTZDYLG-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.26
Rot. Bonds1

About 1-ethenyl-5-methylpyridin-2-one

1-ethenyl-5-methylpyridin-2-one (PubChem CID 14323033) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-ethenyl-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethenyl-5-methylpyridin-2-one
PubChem CID14323033
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1-ethenyl-5-methylpyridin-2-one
SMILESC=Cn1cc(C)ccc1=O
InChIInChI=1S/C8H9NO/c1-3-9-6-7(2)4-5-8(9)10/h3-6H,1H2,2H3
InChIKeyHWFAWOQKTZDYLG-UHFFFAOYSA-N
XLogP1.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-methylpyridin-2-one?
The IUPAC name of 1-ethenyl-5-methylpyridin-2-one (CID 14323033) is 1-ethenyl-5-methylpyridin-2-one.
What is the SMILES notation for 1-ethenyl-5-methylpyridin-2-one?
The canonical SMILES for 1-ethenyl-5-methylpyridin-2-one is C=Cn1cc(C)ccc1=O.
What is the InChIKey of 1-ethenyl-5-methylpyridin-2-one?
The InChIKey is HWFAWOQKTZDYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-9-6-7(2)4-5-8(9)10/h3-6H,1H2,2H3.
What are the key properties of 1-ethenyl-5-methylpyridin-2-one?
1-ethenyl-5-methylpyridin-2-one has a molecular weight of 135.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-methylpyridin-2-one is sourced from PubChem (CID 14323033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).