5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one

C8H9NO3 — CID 123271123

IUPAC5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one
SMILESCOC1OC1c1ccc(=O)[nH]c1
InChIInChI=1S/C8H9NO3/c1-11-8-7(12-8)5-2-3-6(10)9-4-5/h2-4,7-8H,1H3,(H,9,10)
InChIKeyXOUPVVNLSUSOQG-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.42
Rot. Bonds2

About 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one

5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one (PubChem CID 123271123) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one
PubChem CID123271123
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one
SMILESCOC1OC1c1ccc(=O)[nH]c1
InChIInChI=1S/C8H9NO3/c1-11-8-7(12-8)5-2-3-6(10)9-4-5/h2-4,7-8H,1H3,(H,9,10)
InChIKeyXOUPVVNLSUSOQG-UHFFFAOYSA-N
XLogP0.42
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminooxolan-2-yl)-1H-pyridin-2-one
CID 122235365
5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-pyridin-2-one
CID 53474644
5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 58776109
5-(1,2-oxazolidin-3-yl)-1H-pyridin-2-one;hydrochloride
CID 167528758
[1-[(2R,4S,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
CID 122544719
5-[(2S,5R)-5-[(2,6-dihydroxy-2,4,6-trioxo-1,3,2λ5,4λ5,6λ5-dioxatriphosphinan-4-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one
CID 129263646
ethane;bis(5-methyl-1H-pyridin-2-one)
CID 160548099
5-[5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]-1H-pyridin-2-one
CID 178090387
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766
5-(2-methyl-6-phenylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47914673
(2S,13R)-2,13-dimethoxy-3,12-dioxapentacyclo[12.2.1.04,16.05,10.011,15]heptadeca-5,7,9-triene
CID 102131570
ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen
CID 171659448

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one (CID 123271123) is 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one is COC1OC1c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one?
The InChIKey is XOUPVVNLSUSOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-11-8-7(12-8)5-2-3-6(10)9-4-5/h2-4,7-8H,1H3,(H,9,10).
What are the key properties of 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one?
5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one has a molecular weight of 167.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyoxiran-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 123271123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).