(E)-1-(2-ethenylphenyl)-N-methoxymethanimine

C10H11NO — CID 134891254

IUPAC(E)-1-(2-ethenylphenyl)-N-methoxymethanimine
SMILESC=Cc1ccccc1/C=N/OC
InChIInChI=1S/C10H11NO/c1-3-9-6-4-5-7-10(9)8-11-12-2/h3-8H,1H2,2H3/b11-8+
InChIKeyKWDNRBUYAUVDBZ-DHZHZOJOSA-N
MW161.20 g/mol
LogP2.31
Rot. Bonds3

About (E)-1-(2-ethenylphenyl)-N-methoxymethanimine

(E)-1-(2-ethenylphenyl)-N-methoxymethanimine (PubChem CID 134891254) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (E)-1-(2-ethenylphenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(2-ethenylphenyl)-N-methoxymethanimine
PubChem CID134891254
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(E)-1-(2-ethenylphenyl)-N-methoxymethanimine
SMILESC=Cc1ccccc1/C=N/OC
InChIInChI=1S/C10H11NO/c1-3-9-6-4-5-7-10(9)8-11-12-2/h3-8H,1H2,2H3/b11-8+
InChIKeyKWDNRBUYAUVDBZ-DHZHZOJOSA-N
XLogP2.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.31
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 (E)-1-(2-ethenylphenyl)-N-methoxymethanimine with MolForge

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

Launch Full Analysis

Related Compounds

Benzaldehyde Oxime
CID 5324611
N-tert-Butyl-alpha-phenylnitrone
CID 638877
Phenylacetaldoxime
CID 99748
Methanamine, N-(phenylmethylene)-
CID 73954
Cinnamaldehyde oxime
CID 9561350
Ethanamine, N-(phenylmethylene)-
CID 111239
(E)-Phenylacetaldehyde oxime
CID 9638853
Syn-benzaldehyde oxime
CID 5324470
Benzeneacetaldehyde, alpha-(hydroxyimino)-, oxime
CID 135533051
N-methyl-alpha-phenylnitrone
CID 819870
4-Methylbenzaldehyde oxime
CID 5372131
N-((2-methylphenyl)methylidene)hydroxylamine
CID 6904185

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-ethenylphenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(2-ethenylphenyl)-N-methoxymethanimine (CID 134891254) is (E)-1-(2-ethenylphenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(2-ethenylphenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(2-ethenylphenyl)-N-methoxymethanimine is C=Cc1ccccc1/C=N/OC.
What is the InChIKey of (E)-1-(2-ethenylphenyl)-N-methoxymethanimine?
The InChIKey is KWDNRBUYAUVDBZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-9-6-4-5-7-10(9)8-11-12-2/h3-8H,1H2,2H3/b11-8+.
What are the key properties of (E)-1-(2-ethenylphenyl)-N-methoxymethanimine?
(E)-1-(2-ethenylphenyl)-N-methoxymethanimine has a molecular weight of 161.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-ethenylphenyl)-N-methoxymethanimine is sourced from PubChem (CID 134891254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).