1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one

C10H13NO3 — CID 156851362

IUPAC1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
SMILESO=c1ccn(C2CCC(CO)O2)cc1
InChIInChI=1S/C10H13NO3/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11/h3-6,9-10,12H,1-2,7H2
InChIKeyWKYALCSKQAVTNG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.52
Rot. Bonds2

About 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one

1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 156851362) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID156851362
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
SMILESO=c1ccn(C2CCC(CO)O2)cc1
InChIInChI=1S/C10H13NO3/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11/h3-6,9-10,12H,1-2,7H2
InChIKeyWKYALCSKQAVTNG-UHFFFAOYSA-N
XLogP0.52
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 46876104
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14331213
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788440
1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one
CID 165005705
1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 167508848
1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one
CID 172569523
1-(2-Deoxypentofuranosyl)pyridin-4(1h)-one
CID 286491
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14427742
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
CID 58528102
(Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enal
CID 122679403
1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851334
Ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851339

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one (CID 156851362) is 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one is O=c1ccn(C2CCC(CO)O2)cc1.
What is the InChIKey of 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is WKYALCSKQAVTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11/h3-6,9-10,12H,1-2,7H2.
What are the key properties of 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 156851362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).