N-methyl-1-(4-methylphenyl)methanimine oxide

C9H11NO — CID 737819

IUPACN-methyl-1-(4-methylphenyl)methanimine oxide
SMILESCc1ccc(/C=[N+](/C)[O-])cc1
InChIInChI=1S/C9H11NO/c1-8-3-5-9(6-4-8)7-10(2)11/h3-7H,1-2H3/b10-7-
InChIKeyQZJWIZSRELSJQP-YFHOEESVSA-N
MW149.19 g/mol
LogP1.55
Rot. Bonds1

About N-methyl-1-(4-methylphenyl)methanimine oxide

N-methyl-1-(4-methylphenyl)methanimine oxide (PubChem CID 737819) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)methanimine oxide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)methanimine oxide
PubChem CID737819
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-methyl-1-(4-methylphenyl)methanimine oxide
SMILESCc1ccc(/C=[N+](/C)[O-])cc1
InChIInChI=1S/C9H11NO/c1-8-3-5-9(6-4-8)7-10(2)11/h3-7H,1-2H3/b10-7-
InChIKeyQZJWIZSRELSJQP-YFHOEESVSA-N
XLogP1.55
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-methyl-1-(4-methylphenyl)methanimine oxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)methanimine oxide?
The IUPAC name of N-methyl-1-(4-methylphenyl)methanimine oxide (CID 737819) is N-methyl-1-(4-methylphenyl)methanimine oxide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)methanimine oxide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)methanimine oxide is Cc1ccc(/C=[N+](/C)[O-])cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)methanimine oxide?
The InChIKey is QZJWIZSRELSJQP-YFHOEESVSA-N. The full InChI is InChI=1S/C9H11NO/c1-8-3-5-9(6-4-8)7-10(2)11/h3-7H,1-2H3/b10-7-.
What are the key properties of N-methyl-1-(4-methylphenyl)methanimine oxide?
N-methyl-1-(4-methylphenyl)methanimine oxide has a molecular weight of 149.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)methanimine oxide is sourced from PubChem (CID 737819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).