4-pyridin-2-yloxane-2,6-dione

C10H9NO3 — CID 82125584

IUPAC4-pyridin-2-yloxane-2,6-dione
SMILESO=C1CC(c2ccccn2)CC(=O)O1
InChIInChI=1S/C10H9NO3/c12-9-5-7(6-10(13)14-9)8-3-1-2-4-11-8/h1-4,7H,5-6H2
InChIKeyHXXFVFCZEKBHJA-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.03
Rot. Bonds1

About 4-pyridin-2-yloxane-2,6-dione

4-pyridin-2-yloxane-2,6-dione (PubChem CID 82125584) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-pyridin-2-yloxane-2,6-dione.

Molecular Properties

Compound Name4-pyridin-2-yloxane-2,6-dione
PubChem CID82125584
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-pyridin-2-yloxane-2,6-dione
SMILESO=C1CC(c2ccccn2)CC(=O)O1
InChIInChI=1S/C10H9NO3/c12-9-5-7(6-10(13)14-9)8-3-1-2-4-11-8/h1-4,7H,5-6H2
InChIKeyHXXFVFCZEKBHJA-UHFFFAOYSA-N
XLogP1.03
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yloxane-2,6-dione?
The IUPAC name of 4-pyridin-2-yloxane-2,6-dione (CID 82125584) is 4-pyridin-2-yloxane-2,6-dione.
What is the SMILES notation for 4-pyridin-2-yloxane-2,6-dione?
The canonical SMILES for 4-pyridin-2-yloxane-2,6-dione is O=C1CC(c2ccccn2)CC(=O)O1.
What is the InChIKey of 4-pyridin-2-yloxane-2,6-dione?
The InChIKey is HXXFVFCZEKBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-5-7(6-10(13)14-9)8-3-1-2-4-11-8/h1-4,7H,5-6H2.
What are the key properties of 4-pyridin-2-yloxane-2,6-dione?
4-pyridin-2-yloxane-2,6-dione has a molecular weight of 191.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yloxane-2,6-dione is sourced from PubChem (CID 82125584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).