4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one

C15H15NO3 — CID 137274108

IUPAC4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one
SMILESC/C(=N\c1ccc(C)cc1)c1c(O)cc(C)oc1=O
InChIInChI=1S/C15H15NO3/c1-9-4-6-12(7-5-9)16-11(3)14-13(17)8-10(2)19-15(14)18/h4-8,17H,1-3H3/b16-11+
InChIKeyGCCRVXDCBXNMBI-LFIBNONCSA-N
MW257.29 g/mol
LogP3.10
Rot. Bonds2

About 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one

4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one (PubChem CID 137274108) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one
PubChem CID137274108
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one
SMILESC/C(=N\c1ccc(C)cc1)c1c(O)cc(C)oc1=O
InChIInChI=1S/C15H15NO3/c1-9-4-6-12(7-5-9)16-11(3)14-13(17)8-10(2)19-15(14)18/h4-8,17H,1-3H3/b16-11+
InChIKeyGCCRVXDCBXNMBI-LFIBNONCSA-N
XLogP3.10
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-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 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one (CID 137274108) is 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one is C/C(=N\c1ccc(C)cc1)c1c(O)cc(C)oc1=O.
What is the InChIKey of 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one?
The InChIKey is GCCRVXDCBXNMBI-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-4-6-12(7-5-9)16-11(3)14-13(17)8-10(2)19-15(14)18/h4-8,17H,1-3H3/b16-11+.
What are the key properties of 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one?
4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one has a molecular weight of 257.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]pyran-2-one is sourced from PubChem (CID 137274108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).