1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one

C11H12N2O — CID 90464087

IUPAC1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(C2=CCNC=C2)c1
InChIInChI=1S/C11H12N2O/c1-9-2-3-11(14)13(8-9)10-4-6-12-7-5-10/h2-6,8,12H,7H2,1H3
InChIKeyZTXSTWRBUWTZMH-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.11
Rot. Bonds1

About 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one

1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one (PubChem CID 90464087) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one
PubChem CID90464087
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(C2=CCNC=C2)c1
InChIInChI=1S/C11H12N2O/c1-9-2-3-11(14)13(8-9)10-4-6-12-7-5-10/h2-6,8,12H,7H2,1H3
InChIKeyZTXSTWRBUWTZMH-UHFFFAOYSA-N
XLogP1.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one?
The IUPAC name of 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one (CID 90464087) is 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one is Cc1ccc(=O)n(C2=CCNC=C2)c1.
What is the InChIKey of 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one?
The InChIKey is ZTXSTWRBUWTZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-2-3-11(14)13(8-9)10-4-6-12-7-5-10/h2-6,8,12H,7H2,1H3.
What are the key properties of 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one?
1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-4-yl)-5-methylpyridin-2-one is sourced from PubChem (CID 90464087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).