ethyl N-benzylmethanimidate

C10H13NO — CID 19022221

IUPACethyl N-benzylmethanimidate
SMILESCCO/C=N/Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-2-12-9-11-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/b11-9+
InChIKeyXNLFIBJHHNEYQL-PKNBQFBNSA-N
MW163.22 g/mol
LogP2.25
Rot. Bonds4

About ethyl N-benzylmethanimidate

ethyl N-benzylmethanimidate (PubChem CID 19022221) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is ethyl N-benzylmethanimidate.

Molecular Properties

Compound Nameethyl N-benzylmethanimidate
PubChem CID19022221
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Nameethyl N-benzylmethanimidate
SMILESCCO/C=N/Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-2-12-9-11-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/b11-9+
InChIKeyXNLFIBJHHNEYQL-PKNBQFBNSA-N
XLogP2.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.25
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 ethyl N-benzylmethanimidate?
The IUPAC name of ethyl N-benzylmethanimidate (CID 19022221) is ethyl N-benzylmethanimidate.
What is the SMILES notation for ethyl N-benzylmethanimidate?
The canonical SMILES for ethyl N-benzylmethanimidate is CCO/C=N/Cc1ccccc1.
What is the InChIKey of ethyl N-benzylmethanimidate?
The InChIKey is XNLFIBJHHNEYQL-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-12-9-11-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/b11-9+.
What are the key properties of ethyl N-benzylmethanimidate?
ethyl N-benzylmethanimidate has a molecular weight of 163.22 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-benzylmethanimidate is sourced from PubChem (CID 19022221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).