3-(2-oxo-1-pyridinyl)propanal

C8H9NO2 — CID 10329446

IUPAC3-(2-oxo-1-pyridinyl)propanal
SMILESO=CCCn1ccccc1=O
InChIInChI=1S/C8H9NO2/c10-7-3-6-9-5-2-1-4-8(9)11/h1-2,4-5,7H,3,6H2
InChIKeyBWUVOFLFGGFDSI-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.44
Rot. Bonds3

About 3-(2-oxo-1-pyridinyl)propanal

3-(2-oxo-1-pyridinyl)propanal (PubChem CID 10329446) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(2-oxo-1-pyridinyl)propanal.

Molecular Properties

Compound Name3-(2-oxo-1-pyridinyl)propanal
PubChem CID10329446
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-(2-oxo-1-pyridinyl)propanal
SMILESO=CCCn1ccccc1=O
InChIInChI=1S/C8H9NO2/c10-7-3-6-9-5-2-1-4-8(9)11/h1-2,4-5,7H,3,6H2
InChIKeyBWUVOFLFGGFDSI-UHFFFAOYSA-N
XLogP0.44
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.44
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 3-(2-oxo-1-pyridinyl)propanal?
The IUPAC name of 3-(2-oxo-1-pyridinyl)propanal (CID 10329446) is 3-(2-oxo-1-pyridinyl)propanal.
What is the SMILES notation for 3-(2-oxo-1-pyridinyl)propanal?
The canonical SMILES for 3-(2-oxo-1-pyridinyl)propanal is O=CCCn1ccccc1=O.
What is the InChIKey of 3-(2-oxo-1-pyridinyl)propanal?
The InChIKey is BWUVOFLFGGFDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7-3-6-9-5-2-1-4-8(9)11/h1-2,4-5,7H,3,6H2.
What are the key properties of 3-(2-oxo-1-pyridinyl)propanal?
3-(2-oxo-1-pyridinyl)propanal has a molecular weight of 151.16 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-pyridinyl)propanal is sourced from PubChem (CID 10329446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).