1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one

C13H15NO2 — CID 86032168

IUPAC1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1COCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13-8-4-5-9-14(13)11-16-10-12-6-2-1-3-7-12/h1-4,6-8H,5,9-11H2
InChIKeyLUZQJALVWYPVCE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.95
Rot. Bonds4

About 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one

1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one (PubChem CID 86032168) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one
PubChem CID86032168
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1COCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13-8-4-5-9-14(13)11-16-10-12-6-2-1-3-7-12/h1-4,6-8H,5,9-11H2
InChIKeyLUZQJALVWYPVCE-UHFFFAOYSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one (CID 86032168) is 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one is O=C1C=CCCN1COCc1ccccc1.
What is the InChIKey of 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one?
The InChIKey is LUZQJALVWYPVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13-8-4-5-9-14(13)11-16-10-12-6-2-1-3-7-12/h1-4,6-8H,5,9-11H2.
What are the key properties of 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one?
1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one has a molecular weight of 217.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 86032168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).