1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone

C8H13NO — CID 90928147

IUPAC1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone
SMILESCC(=O)C1CCC(C)=NC1
InChIInChI=1S/C8H13NO/c1-6-3-4-8(5-9-6)7(2)10/h8H,3-5H2,1-2H3
InChIKeyFZIIMOLYECUNMP-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds1

About 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone

1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone (PubChem CID 90928147) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone
PubChem CID90928147
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone
SMILESCC(=O)C1CCC(C)=NC1
InChIInChI=1S/C8H13NO/c1-6-3-4-8(5-9-6)7(2)10/h8H,3-5H2,1-2H3
InChIKeyFZIIMOLYECUNMP-UHFFFAOYSA-N
XLogP1.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propionyl-3,4,5,6-tetrahydropyridine
CID 522743
N-(2-Acetylcyclopentylidene)cyclohexylamine
CID 610112
Azabicyclo[4,3,0]nonen-8-one
CID 129696945
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
1-(6-Methyl-2,3,4,5-tetrahydropyridin-5-yl)ethanone
CID 53819182
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934
5-Hexylimino-3,3-dimethylcyclohexan-1-one
CID 57088225
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
CID 57329290
1-(2,3,4,5-Tetrahydropyridin-6-yl)butan-1-one
CID 57329291
6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
CID 58448513
1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone
CID 67320697
3-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one
CID 69098499

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone?
The IUPAC name of 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone (CID 90928147) is 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone?
The canonical SMILES for 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone is CC(=O)C1CCC(C)=NC1.
What is the InChIKey of 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone?
The InChIKey is FZIIMOLYECUNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-4-8(5-9-6)7(2)10/h8H,3-5H2,1-2H3.
What are the key properties of 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone?
1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone has a molecular weight of 139.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone is sourced from PubChem (CID 90928147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).