5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide

C16H16N2O4 — CID 70406128

IUPAC5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide
SMILESCC1=CC(C(=O)NNC(=O)C2=CCC(=O)C(C)=C2)=CCC1=O
InChIInChI=1S/C16H16N2O4/c1-9-7-11(3-5-13(9)19)15(21)17-18-16(22)12-4-6-14(20)10(2)8-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyMLKVSXAZJLZGDE-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.82
Rot. Bonds2

About 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide

5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide (PubChem CID 70406128) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide
PubChem CID70406128
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide
SMILESCC1=CC(C(=O)NNC(=O)C2=CCC(=O)C(C)=C2)=CCC1=O
InChIInChI=1S/C16H16N2O4/c1-9-7-11(3-5-13(9)19)15(21)17-18-16(22)12-4-6-14(20)10(2)8-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyMLKVSXAZJLZGDE-UHFFFAOYSA-N
XLogP0.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide 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 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide?
The IUPAC name of 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide (CID 70406128) is 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide is CC1=CC(C(=O)NNC(=O)C2=CCC(=O)C(C)=C2)=CCC1=O.
What is the InChIKey of 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide?
The InChIKey is MLKVSXAZJLZGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-7-11(3-5-13(9)19)15(21)17-18-16(22)12-4-6-14(20)10(2)8-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide?
5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide has a molecular weight of 300.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide is sourced from PubChem (CID 70406128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).