5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one

C11H15NO — CID 123354602

IUPAC5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one
SMILESC=CC1=C(C=CC)CCN(C)C1=O
InChIInChI=1S/C11H15NO/c1-4-6-9-7-8-12(3)11(13)10(9)5-2/h4-6H,2,7-8H2,1,3H3
InChIKeyTZCLIADXWSTPSJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.91
Rot. Bonds2

About 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one

5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one (PubChem CID 123354602) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one
PubChem CID123354602
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one
SMILESC=CC1=C(C=CC)CCN(C)C1=O
InChIInChI=1S/C11H15NO/c1-4-6-9-7-8-12(3)11(13)10(9)5-2/h4-6H,2,7-8H2,1,3H3
InChIKeyTZCLIADXWSTPSJ-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one?
The IUPAC name of 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one (CID 123354602) is 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one is C=CC1=C(C=CC)CCN(C)C1=O.
What is the InChIKey of 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one?
The InChIKey is TZCLIADXWSTPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-6-9-7-8-12(3)11(13)10(9)5-2/h4-6H,2,7-8H2,1,3H3.
What are the key properties of 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one?
5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one has a molecular weight of 177.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 123354602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).