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

C8H13NO — CID 57231171

IUPAC1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone
SMILESCC(=O)C1=CCCNC1C
InChIInChI=1S/C8H13NO/c1-6-8(7(2)10)4-3-5-9-6/h4,6,9H,3,5H2,1-2H3
InChIKeyZUSHLPZLEPZZGE-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.88
Rot. Bonds1

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

1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone (PubChem CID 57231171) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone
PubChem CID57231171
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone
SMILESCC(=O)C1=CCCNC1C
InChIInChI=1S/C8H13NO/c1-6-8(7(2)10)4-3-5-9-6/h4,6,9H,3,5H2,1-2H3
InChIKeyZUSHLPZLEPZZGE-UHFFFAOYSA-N
XLogP0.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone?
The IUPAC name of 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone (CID 57231171) is 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone?
The canonical SMILES for 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone is CC(=O)C1=CCCNC1C.
What is the InChIKey of 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone?
The InChIKey is ZUSHLPZLEPZZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-8(7(2)10)4-3-5-9-6/h4,6,9H,3,5H2,1-2H3.
What are the key properties of 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone?
1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone has a molecular weight of 139.20 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone is sourced from PubChem (CID 57231171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).