1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone

C10H11NO3 — CID 102604862

IUPAC1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OC2COC2)nc1
InChIInChI=1S/C10H11NO3/c1-7(12)8-2-3-10(11-4-8)14-9-5-13-6-9/h2-4,9H,5-6H2,1H3
InChIKeyFMPSMQLPYJMWTM-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.06
Rot. Bonds3

About 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone

1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone (PubChem CID 102604862) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
PubChem CID102604862
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OC2COC2)nc1
InChIInChI=1S/C10H11NO3/c1-7(12)8-2-3-10(11-4-8)14-9-5-13-6-9/h2-4,9H,5-6H2,1H3
InChIKeyFMPSMQLPYJMWTM-UHFFFAOYSA-N
XLogP1.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone (CID 102604862) is 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone is CC(=O)c1ccc(OC2COC2)nc1.
What is the InChIKey of 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone?
The InChIKey is FMPSMQLPYJMWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)8-2-3-10(11-4-8)14-9-5-13-6-9/h2-4,9H,5-6H2,1H3.
What are the key properties of 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone?
1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone has a molecular weight of 193.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 102604862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).