4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one

C14H14N2O3 — CID 135501742

IUPAC4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one
SMILESCc1ccc(N/N=C/c2c(O)cc(C)oc2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-9-3-5-11(6-4-9)16-15-8-12-13(17)7-10(2)19-14(12)18/h3-8,16-17H,1-2H3/b15-8+
InChIKeyFJUQGJTYCQSRPV-OVCLIPMQSA-N
MW258.28 g/mol
LogP2.41
Rot. Bonds3

About 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one

4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one (PubChem CID 135501742) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one
PubChem CID135501742
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one
SMILESCc1ccc(N/N=C/c2c(O)cc(C)oc2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-9-3-5-11(6-4-9)16-15-8-12-13(17)7-10(2)19-14(12)18/h3-8,16-17H,1-2H3/b15-8+
InChIKeyFJUQGJTYCQSRPV-OVCLIPMQSA-N
XLogP2.41
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]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-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one (CID 135501742) is 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one is Cc1ccc(N/N=C/c2c(O)cc(C)oc2=O)cc1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one?
The InChIKey is FJUQGJTYCQSRPV-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-3-5-11(6-4-9)16-15-8-12-13(17)7-10(2)19-14(12)18/h3-8,16-17H,1-2H3/b15-8+.
What are the key properties of 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one?
4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one has a molecular weight of 258.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyran-2-one is sourced from PubChem (CID 135501742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).