1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one

C12H15NO2 — CID 66469229

IUPAC1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)C1CCOC1)c1ccncc1
InChIInChI=1S/C12H15NO2/c1-9(10-2-5-13-6-3-10)12(14)11-4-7-15-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3
InChIKeyXJNXZRXHYLTXPX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.79
Rot. Bonds3

About 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one

1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one (PubChem CID 66469229) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one
PubChem CID66469229
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)C1CCOC1)c1ccncc1
InChIInChI=1S/C12H15NO2/c1-9(10-2-5-13-6-3-10)12(14)11-4-7-15-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3
InChIKeyXJNXZRXHYLTXPX-UHFFFAOYSA-N
XLogP1.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one (CID 66469229) is 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one is CC(C(=O)C1CCOC1)c1ccncc1.
What is the InChIKey of 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one?
The InChIKey is XJNXZRXHYLTXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(10-2-5-13-6-3-10)12(14)11-4-7-15-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one?
1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 66469229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).