N-methyl-2-phenylethanimine oxide

C9H11NO — CID 75577546

IUPACN-methyl-2-phenylethanimine oxide
SMILESC[N+]([O-])=CCc1ccccc1
InChIInChI=1S/C9H11NO/c1-10(11)8-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyHZRKZWYPKAKIQT-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.44
Rot. Bonds2

About N-methyl-2-phenylethanimine oxide

N-methyl-2-phenylethanimine oxide (PubChem CID 75577546) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-methyl-2-phenylethanimine oxide.

Molecular Properties

Compound NameN-methyl-2-phenylethanimine oxide
PubChem CID75577546
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-methyl-2-phenylethanimine oxide
SMILESC[N+]([O-])=CCc1ccccc1
InChIInChI=1S/C9H11NO/c1-10(11)8-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyHZRKZWYPKAKIQT-UHFFFAOYSA-N
XLogP1.44
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.44
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-2-phenylethanimine 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-2-phenylethanimine oxide?
The IUPAC name of N-methyl-2-phenylethanimine oxide (CID 75577546) is N-methyl-2-phenylethanimine oxide.
What is the SMILES notation for N-methyl-2-phenylethanimine oxide?
The canonical SMILES for N-methyl-2-phenylethanimine oxide is C[N+]([O-])=CCc1ccccc1.
What is the InChIKey of N-methyl-2-phenylethanimine oxide?
The InChIKey is HZRKZWYPKAKIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-10(11)8-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of N-methyl-2-phenylethanimine oxide?
N-methyl-2-phenylethanimine oxide has a molecular weight of 149.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylethanimine oxide is sourced from PubChem (CID 75577546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).