1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone

C11H17NO2 — CID 67492894

IUPAC1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone
SMILESCC(=O)C1=CC(C(C)=O)C(C)N(C)C1
InChIInChI=1S/C11H17NO2/c1-7-11(9(3)14)5-10(8(2)13)6-12(7)4/h5,7,11H,6H2,1-4H3
InChIKeyFXTDSJRTBJQYOO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.04
Rot. Bonds2

About 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone

1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone (PubChem CID 67492894) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone
PubChem CID67492894
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone
SMILESCC(=O)C1=CC(C(C)=O)C(C)N(C)C1
InChIInChI=1S/C11H17NO2/c1-7-11(9(3)14)5-10(8(2)13)6-12(7)4/h5,7,11H,6H2,1-4H3
InChIKeyFXTDSJRTBJQYOO-UHFFFAOYSA-N
XLogP1.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone?
The IUPAC name of 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone (CID 67492894) is 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone is CC(=O)C1=CC(C(C)=O)C(C)N(C)C1.
What is the InChIKey of 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone?
The InChIKey is FXTDSJRTBJQYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-11(9(3)14)5-10(8(2)13)6-12(7)4/h5,7,11H,6H2,1-4H3.
What are the key properties of 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone?
1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone has a molecular weight of 195.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone is sourced from PubChem (CID 67492894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).