2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde

C6H7NO2 — CID 145229832

IUPAC2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde
SMILESO=CC1=CNC(=O)CC1
InChIInChI=1S/C6H7NO2/c8-4-5-1-2-6(9)7-3-5/h3-4H,1-2H2,(H,7,9)
InChIKeyQIRJYMFRRKHNBV-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.02
Rot. Bonds1

About 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde

2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde (PubChem CID 145229832) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde
PubChem CID145229832
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde
SMILESO=CC1=CNC(=O)CC1
InChIInChI=1S/C6H7NO2/c8-4-5-1-2-6(9)7-3-5/h3-4H,1-2H2,(H,7,9)
InChIKeyQIRJYMFRRKHNBV-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
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 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde?
The IUPAC name of 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde (CID 145229832) is 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde.
What is the SMILES notation for 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde?
The canonical SMILES for 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde is O=CC1=CNC(=O)CC1.
What is the InChIKey of 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde?
The InChIKey is QIRJYMFRRKHNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)7-3-5/h3-4H,1-2H2,(H,7,9).
What are the key properties of 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde?
2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4-dihydro-1H-pyridine-5-carbaldehyde is sourced from PubChem (CID 145229832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).