methyl N-benzylmethanimidate

C9H11NO — CID 14292074

IUPACmethyl N-benzylmethanimidate
SMILESCO/C=N/Cc1ccccc1
InChIInChI=1S/C9H11NO/c1-11-8-10-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/b10-8+
InChIKeyCSGBGKQWZAKBKW-CSKARUKUSA-N
MW149.19 g/mol
LogP1.86
Rot. Bonds3

About methyl N-benzylmethanimidate

methyl N-benzylmethanimidate (PubChem CID 14292074) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is methyl N-benzylmethanimidate.

Molecular Properties

Compound Namemethyl N-benzylmethanimidate
PubChem CID14292074
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Namemethyl N-benzylmethanimidate
SMILESCO/C=N/Cc1ccccc1
InChIInChI=1S/C9H11NO/c1-11-8-10-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/b10-8+
InChIKeyCSGBGKQWZAKBKW-CSKARUKUSA-N
XLogP1.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of methyl N-benzylmethanimidate?
The IUPAC name of methyl N-benzylmethanimidate (CID 14292074) is methyl N-benzylmethanimidate.
What is the SMILES notation for methyl N-benzylmethanimidate?
The canonical SMILES for methyl N-benzylmethanimidate is CO/C=N/Cc1ccccc1.
What is the InChIKey of methyl N-benzylmethanimidate?
The InChIKey is CSGBGKQWZAKBKW-CSKARUKUSA-N. The full InChI is InChI=1S/C9H11NO/c1-11-8-10-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/b10-8+.
What are the key properties of methyl N-benzylmethanimidate?
methyl N-benzylmethanimidate has a molecular weight of 149.19 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzylmethanimidate is sourced from PubChem (CID 14292074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).