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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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).