6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one

C15H17NO2 — CID 71816678

IUPAC6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(Cc2ccccc2)n(O)c(=O)c1
InChIInChI=1S/C15H17NO2/c1-11(2)13-9-14(16(18)15(17)10-13)8-12-6-4-3-5-7-12/h3-7,9-11,18H,8H2,1-2H3
InChIKeyZGKKGFUQIAVMLN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds3

About 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one

6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one (PubChem CID 71816678) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one
PubChem CID71816678
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(Cc2ccccc2)n(O)c(=O)c1
InChIInChI=1S/C15H17NO2/c1-11(2)13-9-14(16(18)15(17)10-13)8-12-6-4-3-5-7-12/h3-7,9-11,18H,8H2,1-2H3
InChIKeyZGKKGFUQIAVMLN-UHFFFAOYSA-N
XLogP2.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one?
The IUPAC name of 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one (CID 71816678) is 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one.
What is the SMILES notation for 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one?
The canonical SMILES for 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one is CC(C)c1cc(Cc2ccccc2)n(O)c(=O)c1.
What is the InChIKey of 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one?
The InChIKey is ZGKKGFUQIAVMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(2)13-9-14(16(18)15(17)10-13)8-12-6-4-3-5-7-12/h3-7,9-11,18H,8H2,1-2H3.
What are the key properties of 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one?
6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-hydroxy-4-propan-2-ylpyridin-2-one is sourced from PubChem (CID 71816678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).