benzyl methanimidate

C8H9NO — CID 10176165

IUPACbenzyl methanimidate
SMILES[H]/N=C/OCc1ccccc1
InChIInChI=1S/C8H9NO/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7,9H,6H2/b9-7+
InChIKeyRJXCWYMBQYTWIS-VQHVLOKHSA-N
MW135.17 g/mol
LogP1.81
Rot. Bonds3

About benzyl methanimidate

benzyl methanimidate (PubChem CID 10176165) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is benzyl methanimidate.

Molecular Properties

Compound Namebenzyl methanimidate
PubChem CID10176165
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Namebenzyl methanimidate
SMILES[H]/N=C/OCc1ccccc1
InChIInChI=1S/C8H9NO/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7,9H,6H2/b9-7+
InChIKeyRJXCWYMBQYTWIS-VQHVLOKHSA-N
XLogP1.81
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)methyl methanimidate
CID 143507583
ethenoxymethylbenzene
CID 11116115
phenylmethoxymethylidenephosphane
CID 142882655
triphenyl(phenylmethoxymethylidene)-λ5-phosphane
CID 14869671
ethane;ethenoxymethylbenzene
CID 144676673
benzyl N-hydroxymethanimidate
CID 134694398
2,2-difluoroethenoxymethylbenzene
CID 53483110
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
3-phenylmethoxyprop-2-enylsilane
CID 173015897
CID 66734377
CID 66734377
imino-oxido-phenylmethoxyazanium
CID 174488318
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228

Frequently Asked Questions

What is the IUPAC name of benzyl methanimidate?
The IUPAC name of benzyl methanimidate (CID 10176165) is benzyl methanimidate.
What is the SMILES notation for benzyl methanimidate?
The canonical SMILES for benzyl methanimidate is [H]/N=C/OCc1ccccc1.
What is the InChIKey of benzyl methanimidate?
The InChIKey is RJXCWYMBQYTWIS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H9NO/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7,9H,6H2/b9-7+.
What are the key properties of benzyl methanimidate?
benzyl methanimidate has a molecular weight of 135.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl methanimidate is sourced from PubChem (CID 10176165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).