1-(cyclobutylmethyl)-3-methylpyridin-4-one

C11H15NO — CID 130577055

IUPAC1-(cyclobutylmethyl)-3-methylpyridin-4-one
SMILESCc1cn(CC2CCC2)ccc1=O
InChIInChI=1S/C11H15NO/c1-9-7-12(6-5-11(9)13)8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyOEVFALUCZOXFJY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.96
Rot. Bonds2

About 1-(cyclobutylmethyl)-3-methylpyridin-4-one

1-(cyclobutylmethyl)-3-methylpyridin-4-one (PubChem CID 130577055) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-methylpyridin-4-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-methylpyridin-4-one
PubChem CID130577055
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(cyclobutylmethyl)-3-methylpyridin-4-one
SMILESCc1cn(CC2CCC2)ccc1=O
InChIInChI=1S/C11H15NO/c1-9-7-12(6-5-11(9)13)8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyOEVFALUCZOXFJY-UHFFFAOYSA-N
XLogP1.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-methylpyridin-4-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-methylpyridin-4-one (CID 130577055) is 1-(cyclobutylmethyl)-3-methylpyridin-4-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-methylpyridin-4-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-methylpyridin-4-one is Cc1cn(CC2CCC2)ccc1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-3-methylpyridin-4-one?
The InChIKey is OEVFALUCZOXFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-7-12(6-5-11(9)13)8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-3-methylpyridin-4-one?
1-(cyclobutylmethyl)-3-methylpyridin-4-one has a molecular weight of 177.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-methylpyridin-4-one is sourced from PubChem (CID 130577055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).