1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one

C11H15NO3 — CID 156851334

IUPAC1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCOC[C@@H]1CC[C@H](n2ccc(=O)cc2)O1
InChIInChI=1S/C11H15NO3/c1-14-8-10-2-3-11(15-10)12-6-4-9(13)5-7-12/h4-7,10-11H,2-3,8H2,1H3/t10-,11+/m0/s1
InChIKeyIUCFSRHSBVHJFM-WDEREUQCSA-N
MW209.25 g/mol
LogP1.17
Rot. Bonds3

About 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one

1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 156851334) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID156851334
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCOC[C@@H]1CC[C@H](n2ccc(=O)cc2)O1
InChIInChI=1S/C11H15NO3/c1-14-8-10-2-3-11(15-10)12-6-4-9(13)5-7-12/h4-7,10-11H,2-3,8H2,1H3/t10-,11+/m0/s1
InChIKeyIUCFSRHSBVHJFM-WDEREUQCSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788466
1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788499
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
Ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851339
1-[5-(Methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851340
1-[5-(Hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851362
1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851365
Ethane;1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;methanol
CID 156851366
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane
CID 165089096

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (CID 156851334) is 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is COC[C@@H]1CC[C@H](n2ccc(=O)cc2)O1.
What is the InChIKey of 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is IUCFSRHSBVHJFM-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-8-10-2-3-11(15-10)12-6-4-9(13)5-7-12/h4-7,10-11H,2-3,8H2,1H3/t10-,11+/m0/s1.
What are the key properties of 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 209.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 156851334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).