potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one

C8H8KNO2 — CID 21236093

IUPACpotassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one
SMILESCC1=CC(=N[O-])C=C(C)C1=O.[K+]
InChIInChI=1S/C8H9NO2.K/c1-5-3-7(9-11)4-6(2)8(5)10;/h3-4,11H,1-2H3;/q;+1/p-1
InChIKeySLGYNIYJWJZKBF-UHFFFAOYSA-M
MW189.25 g/mol
LogP-1.60
Rot. Bonds

About potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one

potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one (PubChem CID 21236093) has the molecular formula C8H8KNO2 and a molecular weight of 189.25 g/mol. Its IUPAC name is potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Namepotassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one
PubChem CID21236093
Molecular FormulaC8H8KNO2
Molecular Weight189.25 g/mol
Exact Mass189.02
IUPAC Namepotassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one
SMILESCC1=CC(=N[O-])C=C(C)C1=O.[K+]
InChIInChI=1S/C8H9NO2.K/c1-5-3-7(9-11)4-6(2)8(5)10;/h3-4,11H,1-2H3;/q;+1/p-1
InChIKeySLGYNIYJWJZKBF-UHFFFAOYSA-M
XLogP-1.60
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

lithium 3,5-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one
CID 21239746
sodium 2,6-ditert-butyl-4-oxidoiminocyclohexa-2,5-dien-1-one
CID 23711450
2,6-dimethyl-4-phenyliminocyclohexa-2,5-dien-1-one
CID 12612114
2,6-dimethyl-4-sulfanylidenecyclohexa-2,5-dien-1-one
CID 100937387
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-N'-(4-methylphenyl)sulfonylethanimidamide
CID 4531375
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzamide
CID 5089876
2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol
CID 143566359
4-(2,4-diamino-3,5-dimethylphenyl)imino-2,6-dimethylcyclohexa-2,5-dien-1-one;hydrochloride
CID 88810973
N-(3-chloro-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
CID 818541
[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-chlorobenzoate
CID 5209471
(E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide
CID 6267512
4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 14924160

Frequently Asked Questions

What is the IUPAC name of potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one?
The IUPAC name of potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one (CID 21236093) is potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one.
What is the SMILES notation for potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one?
The canonical SMILES for potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one is CC1=CC(=N[O-])C=C(C)C1=O.[K+].
What is the InChIKey of potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one?
The InChIKey is SLGYNIYJWJZKBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO2.K/c1-5-3-7(9-11)4-6(2)8(5)10;/h3-4,11H,1-2H3;/q;+1/p-1.
What are the key properties of potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one?
potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one has a molecular weight of 189.25 g/mol, XLogP of -1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one is sourced from PubChem (CID 21236093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).