2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one

C15H15NO — CID 132567956

IUPAC2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one
SMILESCC1=C/C(=N\c2ccc(C)cc2)C(C)=CC1=O
InChIInChI=1S/C15H15NO/c1-10-4-6-13(7-5-10)16-14-8-12(3)15(17)9-11(14)2/h4-9H,1-3H3/b16-14+
InChIKeyNTFKILFHPRFRAD-JQIJEIRASA-N
MW225.29 g/mol
LogP3.54
Rot. Bonds1

About 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one

2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one (PubChem CID 132567956) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one
PubChem CID132567956
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one
SMILESCC1=C/C(=N\c2ccc(C)cc2)C(C)=CC1=O
InChIInChI=1S/C15H15NO/c1-10-4-6-13(7-5-10)16-14-8-12(3)15(17)9-11(14)2/h4-9H,1-3H3/b16-14+
InChIKeyNTFKILFHPRFRAD-JQIJEIRASA-N
XLogP3.54
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.54
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one?
The IUPAC name of 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one (CID 132567956) is 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one is CC1=C/C(=N\c2ccc(C)cc2)C(C)=CC1=O.
What is the InChIKey of 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one?
The InChIKey is NTFKILFHPRFRAD-JQIJEIRASA-N. The full InChI is InChI=1S/C15H15NO/c1-10-4-6-13(7-5-10)16-14-8-12(3)15(17)9-11(14)2/h4-9H,1-3H3/b16-14+.
What are the key properties of 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one?
2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one is sourced from PubChem (CID 132567956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).