3-pyridin-4-yloxolan-2-one

C9H9NO2 — CID 55297132

IUPAC3-pyridin-4-yloxolan-2-one
SMILESO=C1OCCC1c1ccncc1
InChIInChI=1S/C9H9NO2/c11-9-8(3-6-12-9)7-1-4-10-5-2-7/h1-2,4-5,8H,3,6H2
InChIKeyIDHUFHHBTYRLGT-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.11
Rot. Bonds1

About 3-pyridin-4-yloxolan-2-one

3-pyridin-4-yloxolan-2-one (PubChem CID 55297132) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-pyridin-4-yloxolan-2-one.

Molecular Properties

Compound Name3-pyridin-4-yloxolan-2-one
PubChem CID55297132
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-pyridin-4-yloxolan-2-one
SMILESO=C1OCCC1c1ccncc1
InChIInChI=1S/C9H9NO2/c11-9-8(3-6-12-9)7-1-4-10-5-2-7/h1-2,4-5,8H,3,6H2
InChIKeyIDHUFHHBTYRLGT-UHFFFAOYSA-N
XLogP1.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
4-[(3R)-2-oxooxolan-3-yl]benzoic acid
CID 86754139
methyl 4-(2-oxooxolan-3-yl)benzoate
CID 138963901
4-pyridin-4-ylcyclohexane-1,2,3-trione
CID 70428350
2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione
CID 102495133
3-thiophen-2-yloxolan-2-one
CID 142704105
ethyl 4-[(3S)-2-oxooxolan-3-yl]benzoate
CID 164681633
5-pyridin-4-ylpyrrolidin-2-one
CID 130009175
1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 90179114
2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid
CID 71650913
(2R,3S)-2-pyridin-4-yloxolan-3-amine
CID 119032003
5-pyridin-4-yl-1,2-oxazolidine
CID 14714114

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yloxolan-2-one?
The IUPAC name of 3-pyridin-4-yloxolan-2-one (CID 55297132) is 3-pyridin-4-yloxolan-2-one.
What is the SMILES notation for 3-pyridin-4-yloxolan-2-one?
The canonical SMILES for 3-pyridin-4-yloxolan-2-one is O=C1OCCC1c1ccncc1.
What is the InChIKey of 3-pyridin-4-yloxolan-2-one?
The InChIKey is IDHUFHHBTYRLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9-8(3-6-12-9)7-1-4-10-5-2-7/h1-2,4-5,8H,3,6H2.
What are the key properties of 3-pyridin-4-yloxolan-2-one?
3-pyridin-4-yloxolan-2-one has a molecular weight of 163.18 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yloxolan-2-one is sourced from PubChem (CID 55297132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).