5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one

C13H13NO3 — CID 130407634

IUPAC5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)c1ccccc1
InChIInChI=1S/C13H13NO3/c1-14(10-5-3-2-4-6-10)8-11-7-12(15)13(16)9-17-11/h2-7,9,16H,8H2,1H3
InChIKeyAWASIWDOMGJHPI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.98
Rot. Bonds3

About 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one

5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one (PubChem CID 130407634) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one
PubChem CID130407634
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)c1ccccc1
InChIInChI=1S/C13H13NO3/c1-14(10-5-3-2-4-6-10)8-11-7-12(15)13(16)9-17-11/h2-7,9,16H,8H2,1H3
InChIKeyAWASIWDOMGJHPI-UHFFFAOYSA-N
XLogP1.98
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetonitrile
CID 7178484
5-Hydroxy-2-methyl-1-phenylpyridin-4-one
CID 89475995
2-[(4-chloro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407819
2-[(3-chloro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130424162
Hydroxy methylphenylpyridinone
CID 10397916
5-Hydroxy-2-(hydroxymethyl)-1-phenylpyridin-4(1H)-one
CID 12468238
3-Hydroxy-1-phenylpyridin-4-one
CID 69932581
2-(Anilinomethyl)-5-hydroxypyran-4-one
CID 130407637
2-[(3-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407896
2-[(4-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407903
5-Hydroxy-2-methyl-1-(4-morpholin-4-ylphenyl)pyridin-4-one
CID 130408004
2-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-5-(2-oxopropoxy)-4H-pyran-4-one
CID 7178509

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one (CID 130407634) is 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one is CN(Cc1cc(=O)c(O)co1)c1ccccc1.
What is the InChIKey of 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one?
The InChIKey is AWASIWDOMGJHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-14(10-5-3-2-4-6-10)8-11-7-12(15)13(16)9-17-11/h2-7,9,16H,8H2,1H3.
What are the key properties of 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one?
5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one has a molecular weight of 231.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one is sourced from PubChem (CID 130407634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).