4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one

C9H11NO2 — CID 23270227

IUPAC4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one
SMILESCON=C1C=C(C)C(=O)C(C)=C1
InChIInChI=1S/C9H11NO2/c1-6-4-8(10-12-3)5-7(2)9(6)11/h4-5H,1-3H3
InChIKeyUQVDHUHFRLMKEC-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.46
Rot. Bonds1

About 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one

4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one (PubChem CID 23270227) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one
PubChem CID23270227
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one
SMILESCON=C1C=C(C)C(=O)C(C)=C1
InChIInChI=1S/C9H11NO2/c1-6-4-8(10-12-3)5-7(2)9(6)11/h4-5H,1-3H3
InChIKeyUQVDHUHFRLMKEC-UHFFFAOYSA-N
XLogP1.46
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.46
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one (CID 23270227) is 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one is CON=C1C=C(C)C(=O)C(C)=C1.
What is the InChIKey of 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one?
The InChIKey is UQVDHUHFRLMKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-8(10-12-3)5-7(2)9(6)11/h4-5H,1-3H3.
What are the key properties of 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one?
4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one has a molecular weight of 165.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyimino-2,6-dimethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 23270227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).