6-(hydroxymethylidene)-1,2-dihydropyridin-5-one

C6H7NO2 — CID 163966892

IUPAC6-(hydroxymethylidene)-1,2-dihydropyridin-5-one
SMILESO=C1C=CCNC1=CO
InChIInChI=1S/C6H7NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,4,7-8H,3H2
InChIKeyBGLXLQXATCCARF-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.11
Rot. Bonds

About 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one

6-(hydroxymethylidene)-1,2-dihydropyridin-5-one (PubChem CID 163966892) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one.

Molecular Properties

Compound Name6-(hydroxymethylidene)-1,2-dihydropyridin-5-one
PubChem CID163966892
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name6-(hydroxymethylidene)-1,2-dihydropyridin-5-one
SMILESO=C1C=CCNC1=CO
InChIInChI=1S/C6H7NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,4,7-8H,3H2
InChIKeyBGLXLQXATCCARF-UHFFFAOYSA-N
XLogP0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one?
The IUPAC name of 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one (CID 163966892) is 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one.
What is the SMILES notation for 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one?
The canonical SMILES for 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one is O=C1C=CCNC1=CO.
What is the InChIKey of 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one?
The InChIKey is BGLXLQXATCCARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,4,7-8H,3H2.
What are the key properties of 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one?
6-(hydroxymethylidene)-1,2-dihydropyridin-5-one has a molecular weight of 125.13 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethylidene)-1,2-dihydropyridin-5-one is sourced from PubChem (CID 163966892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).