N-methoxy-1-phenylmethanimine

C8H9NO — CID 520653

IUPACN-methoxy-1-phenylmethanimine
SMILESCON=Cc1ccccc1
InChIInChI=1S/C8H9NO/c1-10-9-7-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyLEOPYQNROPGGGR-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.67
Rot. Bonds2

About N-methoxy-1-phenylmethanimine

N-methoxy-1-phenylmethanimine (PubChem CID 520653) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is N-methoxy-1-phenylmethanimine.

Molecular Properties

Compound NameN-methoxy-1-phenylmethanimine
PubChem CID520653
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC NameN-methoxy-1-phenylmethanimine
SMILESCON=Cc1ccccc1
InChIInChI=1S/C8H9NO/c1-10-9-7-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyLEOPYQNROPGGGR-UHFFFAOYSA-N
XLogP1.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methoxy-1-phenylmethanimine 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-methoxy-1-phenylmethanimine?
The IUPAC name of N-methoxy-1-phenylmethanimine (CID 520653) is N-methoxy-1-phenylmethanimine.
What is the SMILES notation for N-methoxy-1-phenylmethanimine?
The canonical SMILES for N-methoxy-1-phenylmethanimine is CON=Cc1ccccc1.
What is the InChIKey of N-methoxy-1-phenylmethanimine?
The InChIKey is LEOPYQNROPGGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-10-9-7-8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of N-methoxy-1-phenylmethanimine?
N-methoxy-1-phenylmethanimine has a molecular weight of 135.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylmethanimine is sourced from PubChem (CID 520653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).