4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one

C14H15N3O2 — CID 58671715

IUPAC4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=N/N=c2\cccc(C)n2O)C(C)=CC1=O
InChIInChI=1S/C14H15N3O2/c1-9-8-13(18)10(2)7-12(9)15-16-14-6-4-5-11(3)17(14)19/h4-8,19H,1-3H3/b15-12?,16-14+
InChIKeyCWTKPGLRRVMPBV-CZYQJABYSA-N
MW257.29 g/mol
LogP1.77
Rot. Bonds1

About 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one

4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one (PubChem CID 58671715) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
PubChem CID58671715
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=N/N=c2\cccc(C)n2O)C(C)=CC1=O
InChIInChI=1S/C14H15N3O2/c1-9-8-13(18)10(2)7-12(9)15-16-14-6-4-5-11(3)17(14)19/h4-8,19H,1-3H3/b15-12?,16-14+
InChIKeyCWTKPGLRRVMPBV-CZYQJABYSA-N
XLogP1.77
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one (CID 58671715) is 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one is CC1=CC(=N/N=c2\cccc(C)n2O)C(C)=CC1=O.
What is the InChIKey of 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one?
The InChIKey is CWTKPGLRRVMPBV-CZYQJABYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-8-13(18)10(2)7-12(9)15-16-14-6-4-5-11(3)17(14)19/h4-8,19H,1-3H3/b15-12?,16-14+.
What are the key properties of 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one?
4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one has a molecular weight of 257.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 58671715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).