2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one

C14H15NO3 — CID 130407957

IUPAC2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one
SMILESCN(Cc1ccccc1)Cc1cc(=O)c(O)co1
InChIInChI=1S/C14H15NO3/c1-15(8-11-5-3-2-4-6-11)9-12-7-13(16)14(17)10-18-12/h2-7,10,17H,8-9H2,1H3
InChIKeyIOESDCLZBYSDBN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.98
Rot. Bonds4

About 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one

2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one (PubChem CID 130407957) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one
PubChem CID130407957
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one
SMILESCN(Cc1ccccc1)Cc1cc(=O)c(O)co1
InChIInChI=1S/C14H15NO3/c1-15(8-11-5-3-2-4-6-11)9-12-7-13(16)14(17)10-18-12/h2-7,10,17H,8-9H2,1H3
InChIKeyIOESDCLZBYSDBN-UHFFFAOYSA-N
XLogP1.98
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one (CID 130407957) is 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one is CN(Cc1ccccc1)Cc1cc(=O)c(O)co1.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one?
The InChIKey is IOESDCLZBYSDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15(8-11-5-3-2-4-6-11)9-12-7-13(16)14(17)10-18-12/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one?
2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 130407957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).