4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one

C10H17NO — CID 166899000

IUPAC4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one
SMILESCC(=O)CCC1CCN=C(C)C1
InChIInChI=1S/C10H17NO/c1-8-7-10(5-6-11-8)4-3-9(2)12/h10H,3-7H2,1-2H3
InChIKeyPMZNBZDZHRILSF-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.23
Rot. Bonds3

About 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one

4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one (PubChem CID 166899000) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one.

Molecular Properties

Compound Name4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one
PubChem CID166899000
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one
SMILESCC(=O)CCC1CCN=C(C)C1
InChIInChI=1S/C10H17NO/c1-8-7-10(5-6-11-8)4-3-9(2)12/h10H,3-7H2,1-2H3
InChIKeyPMZNBZDZHRILSF-UHFFFAOYSA-N
XLogP2.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propionyl-3,4,5,6-tetrahydropyridine
CID 522743
2-(Azacyclotridec-1-EN-2-YL)-1-cyclohexanone
CID 4096510
N-(2-Acetylcyclopentylidene)cyclohexylamine
CID 610112
Azabicyclo[4,3,0]nonen-8-one
CID 129696945
7-methyl-3,4,5,5a,6,7-hexahydro-2H-cyclopenta[b]azepin-8-one
CID 91252181
1-[(2R)-2-propyl-2,3,4,5-tetrahydropyridin-6-yl]heptan-3-one
CID 134848008
1-(2-Propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one
CID 134861026
1-[(3aR,4R)-3,3a,4,5,6,7-hexahydro-2H-indol-4-yl]propan-2-one
CID 135075822
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
1-(6-Methyl-2,3,4,5-tetrahydropyridin-5-yl)ethanone
CID 53819182
5-Ethyl-2-(4-ethyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexane-1,3-dione
CID 53901885

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one?
The IUPAC name of 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one (CID 166899000) is 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one.
What is the SMILES notation for 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one?
The canonical SMILES for 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one is CC(=O)CCC1CCN=C(C)C1.
What is the InChIKey of 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one?
The InChIKey is PMZNBZDZHRILSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-7-10(5-6-11-8)4-3-9(2)12/h10H,3-7H2,1-2H3.
What are the key properties of 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one?
4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2,3,4,5-tetrahydropyridin-4-yl)butan-2-one is sourced from PubChem (CID 166899000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).