1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone

C11H17NO2 — CID 67492898

IUPAC1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone
SMILESCC(=O)C1=CC(C(C)=O)C(C)NC1C
InChIInChI=1S/C11H17NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5-7,10,12H,1-4H3
InChIKeyROCCABORPQIVJI-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.09
Rot. Bonds2

About 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone

1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone (PubChem CID 67492898) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone
PubChem CID67492898
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone
SMILESCC(=O)C1=CC(C(C)=O)C(C)NC1C
InChIInChI=1S/C11H17NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5-7,10,12H,1-4H3
InChIKeyROCCABORPQIVJI-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone?
The IUPAC name of 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone (CID 67492898) is 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone is CC(=O)C1=CC(C(C)=O)C(C)NC1C.
What is the InChIKey of 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone?
The InChIKey is ROCCABORPQIVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5-7,10,12H,1-4H3.
What are the key properties of 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone?
1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone has a molecular weight of 195.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2,6-dimethyl-1,2,3,6-tetrahydropyridin-3-yl)ethanone is sourced from PubChem (CID 67492898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).