6-methyl-3-pentanoyl-1H-pyridin-2-one

C11H15NO2 — CID 121217099

IUPAC6-methyl-3-pentanoyl-1H-pyridin-2-one
SMILESCCCCC(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C11H15NO2/c1-3-4-5-10(13)9-7-6-8(2)12-11(9)14/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyTWSKWJRBUIGDFG-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.06
Rot. Bonds4

About 6-methyl-3-pentanoyl-1H-pyridin-2-one

6-methyl-3-pentanoyl-1H-pyridin-2-one (PubChem CID 121217099) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-methyl-3-pentanoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-pentanoyl-1H-pyridin-2-one
PubChem CID121217099
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-methyl-3-pentanoyl-1H-pyridin-2-one
SMILESCCCCC(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C11H15NO2/c1-3-4-5-10(13)9-7-6-8(2)12-11(9)14/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyTWSKWJRBUIGDFG-UHFFFAOYSA-N
XLogP2.06
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pentanoyl-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-pentanoyl-1H-pyridin-2-one (CID 121217099) is 6-methyl-3-pentanoyl-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-pentanoyl-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-pentanoyl-1H-pyridin-2-one is CCCCC(=O)c1ccc(C)[nH]c1=O.
What is the InChIKey of 6-methyl-3-pentanoyl-1H-pyridin-2-one?
The InChIKey is TWSKWJRBUIGDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-5-10(13)9-7-6-8(2)12-11(9)14/h6-7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 6-methyl-3-pentanoyl-1H-pyridin-2-one?
6-methyl-3-pentanoyl-1H-pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pentanoyl-1H-pyridin-2-one is sourced from PubChem (CID 121217099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).