5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde

C11H15NO2 — CID 13169255

IUPAC5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde
SMILESCCCn1cc(CC)cc(C=O)c1=O
InChIInChI=1S/C11H15NO2/c1-3-5-12-7-9(4-2)6-10(8-13)11(12)14/h6-8H,3-5H2,1-2H3
InChIKeyWQXGPFKROFLTOR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.63
Rot. Bonds4

About 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde

5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde (PubChem CID 13169255) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde
PubChem CID13169255
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde
SMILESCCCn1cc(CC)cc(C=O)c1=O
InChIInChI=1S/C11H15NO2/c1-3-5-12-7-9(4-2)6-10(8-13)11(12)14/h6-8H,3-5H2,1-2H3
InChIKeyWQXGPFKROFLTOR-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-5-methyl-1-propylindole-7-carboxylic acid
CID 83947946
5-fluoro-1-propylindole-3-carbaldehyde
CID 25219839
5-fluoro-1-methyl-2-oxopyridine-3-carbaldehyde
CID 58259434
5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde
CID 105434991
6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82520654
3-formyl-5-methyl-1-propylindole-6-carboxylic acid
CID 83947002
5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid
CID 131629778
1-butyl-2,4-dioxopyrimidine-5-carbaldehyde
CID 58592842
2-oxo-1-propylquinoline-4-carbaldehyde
CID 88586782
4-propyl-1,2,4-triazole-3-carbaldehyde
CID 22938686
2-chloro-4-ethylbenzaldehyde
CID 14687915
1-methylpyrrole-2,3,5-tricarbaldehyde
CID 12914965

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde?
The IUPAC name of 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde (CID 13169255) is 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde?
The canonical SMILES for 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde is CCCn1cc(CC)cc(C=O)c1=O.
What is the InChIKey of 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde?
The InChIKey is WQXGPFKROFLTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-5-12-7-9(4-2)6-10(8-13)11(12)14/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde?
5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde is sourced from PubChem (CID 13169255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).