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

C11H15NO3 — CID 156851340

IUPAC1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCOCC1CCC(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
InChIKeyIUCFSRHSBVHJFM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.17
Rot. Bonds3

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

1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 156851340) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID156851340
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCOCC1CCC(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
InChIKeyIUCFSRHSBVHJFM-UHFFFAOYSA-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

methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
2,5-bis(methoxymethyl)oxolane
CID 57041378
4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 118151131
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136592210
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
CID 130458181
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-6,8-dimethylpurine
CID 167678513
1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-4-[1-(2-nitrophenyl)ethylamino]pyrimidin-2-one
CID 178171555
(4aS,10aS)-8-bromo-2-(methoxymethyl)-3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromen-10-one
CID 67609604
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208
[5-(methoxymethyl)oxolan-2-yl]methyl 3-oxobutanoate
CID 170416752
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (CID 156851340) is 1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is COCC1CCC(n2ccc(=O)cc2)O1.
What is the InChIKey of 1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is IUCFSRHSBVHJFM-UHFFFAOYSA-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.
What are the key properties of 1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
1-[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-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 156851340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).