2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one

C9H11NO — CID 58194050

IUPAC2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one
SMILESCN=C1C=C(C)C(=O)C(C)=C1
InChIInChI=1S/C9H11NO/c1-6-4-8(10-3)5-7(2)9(6)11/h4-5H,1-3H3
InChIKeyPSLXVBQEXHNCBO-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.53
Rot. Bonds

About 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one

2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one (PubChem CID 58194050) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one
PubChem CID58194050
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one
SMILESCN=C1C=C(C)C(=O)C(C)=C1
InChIInChI=1S/C9H11NO/c1-6-4-8(10-3)5-7(2)9(6)11/h4-5H,1-3H3
InChIKeyPSLXVBQEXHNCBO-UHFFFAOYSA-N
XLogP1.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6,6-Tetramethyl-3(6H)-pyridinone
CID 21775038
2,6-Dimethyl-3-tritio-2,3-dihydroindol-5-one
CID 90672886
N-Acetyl-3,5-dimethyl-4-benzoquinone imine
CID 126483
N-(3-Methyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
CID 18338381
4-Imino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 20496336
(E)-7,7,7-trifluoro-4-methyl-6-methyliminohept-4-en-3-one
CID 155280906
N-acetyl-6-isopropyl-3-methyl-1,4-benzoquinone monoimine
CID 129742224
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)urea
CID 129757285
2,6-Dimethyl-2,3-dihydroindol-5-one
CID 12515908
(E)-8,8,8-trifluoro-5-methyl-7-methyliminooct-5-en-4-one
CID 155718417
(E)-6,6,6-trifluoro-3-methyl-5-methyliminohex-3-en-2-one
CID 171794467
4-Imino-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 20292609

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one?
The IUPAC name of 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one (CID 58194050) is 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one is CN=C1C=C(C)C(=O)C(C)=C1.
What is the InChIKey of 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one?
The InChIKey is PSLXVBQEXHNCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-4-8(10-3)5-7(2)9(6)11/h4-5H,1-3H3.
What are the key properties of 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one?
2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one is sourced from PubChem (CID 58194050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).