3-pyridin-4-yloxycyclobutan-1-one

C9H9NO2 — CID 131614797

IUPAC3-pyridin-4-yloxycyclobutan-1-one
SMILESO=C1CC(Oc2ccncc2)C1
InChIInChI=1S/C9H9NO2/c11-7-5-9(6-7)12-8-1-3-10-4-2-8/h1-4,9H,5-6H2
InChIKeyBSWQIJYOFRJHEZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.19
Rot. Bonds2

About 3-pyridin-4-yloxycyclobutan-1-one

3-pyridin-4-yloxycyclobutan-1-one (PubChem CID 131614797) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-pyridin-4-yloxycyclobutan-1-one.

Molecular Properties

Compound Name3-pyridin-4-yloxycyclobutan-1-one
PubChem CID131614797
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-pyridin-4-yloxycyclobutan-1-one
SMILESO=C1CC(Oc2ccncc2)C1
InChIInChI=1S/C9H9NO2/c11-7-5-9(6-7)12-8-1-3-10-4-2-8/h1-4,9H,5-6H2
InChIKeyBSWQIJYOFRJHEZ-UHFFFAOYSA-N
XLogP1.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yloxycyclobutan-1-one?
The IUPAC name of 3-pyridin-4-yloxycyclobutan-1-one (CID 131614797) is 3-pyridin-4-yloxycyclobutan-1-one.
What is the SMILES notation for 3-pyridin-4-yloxycyclobutan-1-one?
The canonical SMILES for 3-pyridin-4-yloxycyclobutan-1-one is O=C1CC(Oc2ccncc2)C1.
What is the InChIKey of 3-pyridin-4-yloxycyclobutan-1-one?
The InChIKey is BSWQIJYOFRJHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-7-5-9(6-7)12-8-1-3-10-4-2-8/h1-4,9H,5-6H2.
What are the key properties of 3-pyridin-4-yloxycyclobutan-1-one?
3-pyridin-4-yloxycyclobutan-1-one has a molecular weight of 163.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yloxycyclobutan-1-one is sourced from PubChem (CID 131614797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).