1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde

C11H15NO2 — CID 13169252

IUPAC1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde
SMILESCCCCn1cc(C)cc(C=O)c1=O
InChIInChI=1S/C11H15NO2/c1-3-4-5-12-7-9(2)6-10(8-13)11(12)14/h6-8H,3-5H2,1-2H3
InChIKeyGIOZGSABLOFENK-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.77
Rot. Bonds4

About 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde

1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde (PubChem CID 13169252) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde
PubChem CID13169252
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde
SMILESCCCCn1cc(C)cc(C=O)c1=O
InChIInChI=1S/C11H15NO2/c1-3-4-5-12-7-9(2)6-10(8-13)11(12)14/h6-8H,3-5H2,1-2H3
InChIKeyGIOZGSABLOFENK-UHFFFAOYSA-N
XLogP1.77
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde (CID 13169252) is 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde is CCCCn1cc(C)cc(C=O)c1=O.
What is the InChIKey of 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde?
The InChIKey is GIOZGSABLOFENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-5-12-7-9(2)6-10(8-13)11(12)14/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde?
1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 13169252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).