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

C12H15NO2 — CID 62622674

IUPAC1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C12H15NO2/c14-11(9-12-2-1-7-15-12)8-10-3-5-13-6-4-10/h3-6,12H,1-2,7-9H2
InChIKeyGUXUYAYXECVQAG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.76
Rot. Bonds4

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

1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one (PubChem CID 62622674) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one
PubChem CID62622674
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C12H15NO2/c14-11(9-12-2-1-7-15-12)8-10-3-5-13-6-4-10/h3-6,12H,1-2,7-9H2
InChIKeyGUXUYAYXECVQAG-UHFFFAOYSA-N
XLogP1.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
CID 62622675
1-(3-bromo-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-one
CID 54971563
1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
CID 174883544
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62606205
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 103039496
1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
CID 64783724
2-(oxolan-2-yl)-1-pyrazin-2-ylethanone
CID 62621906
1-(4-ethylphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114963451
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
1-(4-iodophenyl)-4-(oxolan-2-yl)butan-2-one
CID 114974166

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one (CID 62622674) is 1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one is O=C(Cc1ccncc1)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one?
The InChIKey is GUXUYAYXECVQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-11(9-12-2-1-7-15-12)8-10-3-5-13-6-4-10/h3-6,12H,1-2,7-9H2.
What are the key properties of 1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one?
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 62622674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).