4-oxo-2,3-dihydropyridine-1-carbaldehyde

C6H7NO2 — CID 88530288

IUPAC4-oxo-2,3-dihydropyridine-1-carbaldehyde
SMILESO=CN1C=CC(=O)CC1
InChIInChI=1S/C6H7NO2/c8-5-7-3-1-6(9)2-4-7/h1,3,5H,2,4H2
InChIKeyXNIKOVCAQKRURD-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.07
Rot. Bonds1

About 4-oxo-2,3-dihydropyridine-1-carbaldehyde

4-oxo-2,3-dihydropyridine-1-carbaldehyde (PubChem CID 88530288) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-oxo-2,3-dihydropyridine-1-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2,3-dihydropyridine-1-carbaldehyde
PubChem CID88530288
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name4-oxo-2,3-dihydropyridine-1-carbaldehyde
SMILESO=CN1C=CC(=O)CC1
InChIInChI=1S/C6H7NO2/c8-5-7-3-1-6(9)2-4-7/h1,3,5H,2,4H2
InChIKeyXNIKOVCAQKRURD-UHFFFAOYSA-N
XLogP-0.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydropyridine-1-carbaldehyde?
The IUPAC name of 4-oxo-2,3-dihydropyridine-1-carbaldehyde (CID 88530288) is 4-oxo-2,3-dihydropyridine-1-carbaldehyde.
What is the SMILES notation for 4-oxo-2,3-dihydropyridine-1-carbaldehyde?
The canonical SMILES for 4-oxo-2,3-dihydropyridine-1-carbaldehyde is O=CN1C=CC(=O)CC1.
What is the InChIKey of 4-oxo-2,3-dihydropyridine-1-carbaldehyde?
The InChIKey is XNIKOVCAQKRURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-5-7-3-1-6(9)2-4-7/h1,3,5H,2,4H2.
What are the key properties of 4-oxo-2,3-dihydropyridine-1-carbaldehyde?
4-oxo-2,3-dihydropyridine-1-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydropyridine-1-carbaldehyde is sourced from PubChem (CID 88530288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).