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

C12H15NO2 — CID 105099703

IUPAC1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)C1CCOC1
InChIInChI=1S/C12H15NO2/c14-12(11-5-7-15-9-11)4-3-10-2-1-6-13-8-10/h1-2,6,8,11H,3-5,7,9H2
InChIKeyDXIGNZIPGSEPDE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.62
Rot. Bonds4

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

1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 105099703) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID105099703
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)C1CCOC1
InChIInChI=1S/C12H15NO2/c14-12(11-5-7-15-9-11)4-3-10-2-1-6-13-8-10/h1-2,6,8,11H,3-5,7,9H2
InChIKeyDXIGNZIPGSEPDE-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 105119747
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97470540
2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
CID 119062728
(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95220390
4-(5-pyridin-3-ylpentanoyl)-1,4-oxazepane-6-carboxylic acid
CID 138385702
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
[(3aS,6aS)-1-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(oxolan-3-yl)methanone
CID 131656647
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
CID 79921687
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 115270965

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one (CID 105099703) is 1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is DXIGNZIPGSEPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(11-5-7-15-9-11)4-3-10-2-1-6-13-8-10/h1-2,6,8,11H,3-5,7,9H2.
What are the key properties of 1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one?
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 105099703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).