methyl N-phenylethanimidate

C9H11NO — CID 11829613

IUPACmethyl N-phenylethanimidate
SMILESCO/C(C)=N/c1ccccc1
InChIInChI=1S/C9H11NO/c1-8(11-2)10-9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+
InChIKeyNXOVMTOMPVKBFG-CSKARUKUSA-N
MW149.19 g/mol
LogP2.38
Rot. Bonds1

About methyl N-phenylethanimidate

methyl N-phenylethanimidate (PubChem CID 11829613) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is methyl N-phenylethanimidate.

Molecular Properties

Compound Namemethyl N-phenylethanimidate
PubChem CID11829613
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Namemethyl N-phenylethanimidate
SMILESCO/C(C)=N/c1ccccc1
InChIInChI=1S/C9H11NO/c1-8(11-2)10-9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+
InChIKeyNXOVMTOMPVKBFG-CSKARUKUSA-N
XLogP2.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.38
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-phenylethanimidate?
The IUPAC name of methyl N-phenylethanimidate (CID 11829613) is methyl N-phenylethanimidate.
What is the SMILES notation for methyl N-phenylethanimidate?
The canonical SMILES for methyl N-phenylethanimidate is CO/C(C)=N/c1ccccc1.
What is the InChIKey of methyl N-phenylethanimidate?
The InChIKey is NXOVMTOMPVKBFG-CSKARUKUSA-N. The full InChI is InChI=1S/C9H11NO/c1-8(11-2)10-9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+.
What are the key properties of methyl N-phenylethanimidate?
methyl N-phenylethanimidate has a molecular weight of 149.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-phenylethanimidate is sourced from PubChem (CID 11829613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).