3-(pyridine-2-carbonyl)oxolan-2-one

C10H9NO3 — CID 24971718

IUPAC3-(pyridine-2-carbonyl)oxolan-2-one
SMILESO=C1OCCC1C(=O)c1ccccn1
InChIInChI=1S/C10H9NO3/c12-9(7-4-6-14-10(7)13)8-3-1-2-5-11-8/h1-3,5,7H,4,6H2
InChIKeyUCQSUPKLMWJGIZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.83
Rot. Bonds2

About 3-(pyridine-2-carbonyl)oxolan-2-one

3-(pyridine-2-carbonyl)oxolan-2-one (PubChem CID 24971718) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(pyridine-2-carbonyl)oxolan-2-one.

Molecular Properties

Compound Name3-(pyridine-2-carbonyl)oxolan-2-one
PubChem CID24971718
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-(pyridine-2-carbonyl)oxolan-2-one
SMILESO=C1OCCC1C(=O)c1ccccn1
InChIInChI=1S/C10H9NO3/c12-9(7-4-6-14-10(7)13)8-3-1-2-5-11-8/h1-3,5,7H,4,6H2
InChIKeyUCQSUPKLMWJGIZ-UHFFFAOYSA-N
XLogP0.83
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

oxiran-2-yl(pyridin-2-yl)methanone
CID 89057546
4-(pyridine-2-carbonyl)cyclohexan-1-one
CID 116920313
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
pyridin-2-yl-[(3S)-thiolan-3-yl]methanone
CID 99934837
(3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one
CID 54336413
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
(3-aminocyclobutyl)-pyridin-2-ylmethanone
CID 116917775
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-2-ylethanone
CID 116826363
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
gadolinium;pyridine-2-carboxylic acid
CID 175231422
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 10955833

Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-2-carbonyl)oxolan-2-one?
The IUPAC name of 3-(pyridine-2-carbonyl)oxolan-2-one (CID 24971718) is 3-(pyridine-2-carbonyl)oxolan-2-one.
What is the SMILES notation for 3-(pyridine-2-carbonyl)oxolan-2-one?
The canonical SMILES for 3-(pyridine-2-carbonyl)oxolan-2-one is O=C1OCCC1C(=O)c1ccccn1.
What is the InChIKey of 3-(pyridine-2-carbonyl)oxolan-2-one?
The InChIKey is UCQSUPKLMWJGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9(7-4-6-14-10(7)13)8-3-1-2-5-11-8/h1-3,5,7H,4,6H2.
What are the key properties of 3-(pyridine-2-carbonyl)oxolan-2-one?
3-(pyridine-2-carbonyl)oxolan-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-2-carbonyl)oxolan-2-one is sourced from PubChem (CID 24971718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).