1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone

C8H11NO — CID 118500792

IUPAC1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone
SMILESCC(=O)C1=CC(C)NC=C1
InChIInChI=1S/C8H11NO/c1-6-5-8(7(2)10)3-4-9-6/h3-6,9H,1-2H3
InChIKeyJQCZNAGOVSCTBA-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.01
Rot. Bonds1

About 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone

1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone (PubChem CID 118500792) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone
PubChem CID118500792
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone
SMILESCC(=O)C1=CC(C)NC=C1
InChIInChI=1S/C8H11NO/c1-6-5-8(7(2)10)3-4-9-6/h3-6,9H,1-2H3
InChIKeyJQCZNAGOVSCTBA-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone (CID 118500792) is 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone is CC(=O)C1=CC(C)NC=C1.
What is the InChIKey of 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone?
The InChIKey is JQCZNAGOVSCTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-5-8(7(2)10)3-4-9-6/h3-6,9H,1-2H3.
What are the key properties of 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone?
1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone has a molecular weight of 137.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2-dihydropyridin-4-yl)ethanone is sourced from PubChem (CID 118500792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).