1-(6-methyl-3-pyridinyl)butan-1-one

C10H13NO — CID 63155760

IUPAC1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCCCC(=O)c1ccc(C)nc1
InChIInChI=1S/C10H13NO/c1-3-4-10(12)9-6-5-8(2)11-7-9/h5-7H,3-4H2,1-2H3
InChIKeyZXNHAISOQSBHHA-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.37
Rot. Bonds3

About 1-(6-methyl-3-pyridinyl)butan-1-one

1-(6-methyl-3-pyridinyl)butan-1-one (PubChem CID 63155760) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)butan-1-one
PubChem CID63155760
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(6-methyl-3-pyridinyl)butan-1-one
SMILESCCCC(=O)c1ccc(C)nc1
InChIInChI=1S/C10H13NO/c1-3-4-10(12)9-6-5-8(2)11-7-9/h5-7H,3-4H2,1-2H3
InChIKeyZXNHAISOQSBHHA-UHFFFAOYSA-N
XLogP2.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 1-(6-methyl-3-pyridinyl)butan-1-one (CID 63155760) is 1-(6-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)butan-1-one is CCCC(=O)c1ccc(C)nc1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)butan-1-one?
The InChIKey is ZXNHAISOQSBHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-4-10(12)9-6-5-8(2)11-7-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)butan-1-one?
1-(6-methyl-3-pyridinyl)butan-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 63155760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).