5-pyridin-3-yloxolan-2-one

C9H9NO2 — CID 3015101

IUPAC5-pyridin-3-yloxolan-2-one
SMILESO=C1CCC(c2cccnc2)O1
InChIInChI=1S/C9H9NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2
InChIKeyTUQJJRAPYHGKLP-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.46
Rot. Bonds1

About 5-pyridin-3-yloxolan-2-one

5-pyridin-3-yloxolan-2-one (PubChem CID 3015101) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-pyridin-3-yloxolan-2-one.

Molecular Properties

Compound Name5-pyridin-3-yloxolan-2-one
PubChem CID3015101
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5-pyridin-3-yloxolan-2-one
SMILESO=C1CCC(c2cccnc2)O1
InChIInChI=1S/C9H9NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2
InChIKeyTUQJJRAPYHGKLP-UHFFFAOYSA-N
XLogP1.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yloxolan-2-one?
The IUPAC name of 5-pyridin-3-yloxolan-2-one (CID 3015101) is 5-pyridin-3-yloxolan-2-one.
What is the SMILES notation for 5-pyridin-3-yloxolan-2-one?
The canonical SMILES for 5-pyridin-3-yloxolan-2-one is O=C1CCC(c2cccnc2)O1.
What is the InChIKey of 5-pyridin-3-yloxolan-2-one?
The InChIKey is TUQJJRAPYHGKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2.
What are the key properties of 5-pyridin-3-yloxolan-2-one?
5-pyridin-3-yloxolan-2-one has a molecular weight of 163.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yloxolan-2-one is sourced from PubChem (CID 3015101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).