1-benzyl-5-(hydroxymethyl)pyridin-2-one

C13H13NO2 — CID 23240890

IUPAC1-benzyl-5-(hydroxymethyl)pyridin-2-one
SMILESO=c1ccc(CO)cn1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c15-10-12-6-7-13(16)14(9-12)8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2
InChIKeyAQHOUVJJPHTZQE-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.39
Rot. Bonds3

About 1-benzyl-5-(hydroxymethyl)pyridin-2-one

1-benzyl-5-(hydroxymethyl)pyridin-2-one (PubChem CID 23240890) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-benzyl-5-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(hydroxymethyl)pyridin-2-one
PubChem CID23240890
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-benzyl-5-(hydroxymethyl)pyridin-2-one
SMILESO=c1ccc(CO)cn1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c15-10-12-6-7-13(16)14(9-12)8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2
InChIKeyAQHOUVJJPHTZQE-UHFFFAOYSA-N
XLogP1.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dibenzylpyridin-2-one
CID 24938871
1-benzyl-5-bromopyridin-2-one
CID 15395936
(1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium
CID 20725575
1-benzyl-5-(2-phenylethynyl)pyridin-2-one
CID 69443442
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
1-[[4-(chloromethyl)phenyl]methyl]pyridin-2-one;1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 158637113
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
CID 69349835
1-benzyl-5-[(5-methoxy-2-phenylphenyl)methyl]pyridin-2-one
CID 25156915
1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
CID 69442572
1-benzyl-5-[(4-methoxy-2-phenylphenyl)methyl]pyridin-2-one
CID 25156635
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1-benzyl-5-[(1-methyl-5-oxo-2-sulfanylideneimidazol-4-yl)methyl]pyridin-2-one
CID 121232369

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(hydroxymethyl)pyridin-2-one (CID 23240890) is 1-benzyl-5-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(hydroxymethyl)pyridin-2-one is O=c1ccc(CO)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(hydroxymethyl)pyridin-2-one?
The InChIKey is AQHOUVJJPHTZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-10-12-6-7-13(16)14(9-12)8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2.
What are the key properties of 1-benzyl-5-(hydroxymethyl)pyridin-2-one?
1-benzyl-5-(hydroxymethyl)pyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 23240890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).