6-(3-methylbutyl)-1H-pyridin-2-one

C10H15NO — CID 19917708

IUPAC6-(3-methylbutyl)-1H-pyridin-2-one
SMILESCC(C)CCc1cccc(=O)[nH]1
InChIInChI=1S/C10H15NO/c1-8(2)6-7-9-4-3-5-10(12)11-9/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChIKeyUYBUVUJOWQTXJT-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.96
Rot. Bonds3

About 6-(3-methylbutyl)-1H-pyridin-2-one

6-(3-methylbutyl)-1H-pyridin-2-one (PubChem CID 19917708) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-(3-methylbutyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-methylbutyl)-1H-pyridin-2-one
PubChem CID19917708
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-(3-methylbutyl)-1H-pyridin-2-one
SMILESCC(C)CCc1cccc(=O)[nH]1
InChIInChI=1S/C10H15NO/c1-8(2)6-7-9-4-3-5-10(12)11-9/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChIKeyUYBUVUJOWQTXJT-UHFFFAOYSA-N
XLogP1.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-methylbutyl)-1H-pyridin-2-one (CID 19917708) is 6-(3-methylbutyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-methylbutyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-methylbutyl)-1H-pyridin-2-one is CC(C)CCc1cccc(=O)[nH]1.
What is the InChIKey of 6-(3-methylbutyl)-1H-pyridin-2-one?
The InChIKey is UYBUVUJOWQTXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)6-7-9-4-3-5-10(12)11-9/h3-5,8H,6-7H2,1-2H3,(H,11,12).
What are the key properties of 6-(3-methylbutyl)-1H-pyridin-2-one?
6-(3-methylbutyl)-1H-pyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)-1H-pyridin-2-one is sourced from PubChem (CID 19917708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).