1-(methoxymethyl)-2,3-dihydropyridin-4-one

C7H11NO2 — CID 13275579

IUPAC1-(methoxymethyl)-2,3-dihydropyridin-4-one
SMILESCOCN1C=CC(=O)CC1
InChIInChI=1S/C7H11NO2/c1-10-6-8-4-2-7(9)3-5-8/h2,4H,3,5-6H2,1H3
InChIKeyNTIVCZITVBJMCA-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds2

About 1-(methoxymethyl)-2,3-dihydropyridin-4-one

1-(methoxymethyl)-2,3-dihydropyridin-4-one (PubChem CID 13275579) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(methoxymethyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-(methoxymethyl)-2,3-dihydropyridin-4-one
PubChem CID13275579
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(methoxymethyl)-2,3-dihydropyridin-4-one
SMILESCOCN1C=CC(=O)CC1
InChIInChI=1S/C7H11NO2/c1-10-6-8-4-2-7(9)3-5-8/h2,4H,3,5-6H2,1H3
InChIKeyNTIVCZITVBJMCA-UHFFFAOYSA-N
XLogP0.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 1-(methoxymethyl)-2,3-dihydropyridin-4-one (CID 13275579) is 1-(methoxymethyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-(methoxymethyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-(methoxymethyl)-2,3-dihydropyridin-4-one is COCN1C=CC(=O)CC1.
What is the InChIKey of 1-(methoxymethyl)-2,3-dihydropyridin-4-one?
The InChIKey is NTIVCZITVBJMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-6-8-4-2-7(9)3-5-8/h2,4H,3,5-6H2,1H3.
What are the key properties of 1-(methoxymethyl)-2,3-dihydropyridin-4-one?
1-(methoxymethyl)-2,3-dihydropyridin-4-one has a molecular weight of 141.17 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 13275579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).