ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate

C13H17NO — CID 14878015

IUPACethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate
SMILESCCO/C=N/C(=C(C)C)c1ccccc1
InChIInChI=1S/C13H17NO/c1-4-15-10-14-13(11(2)3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3/b14-10+
InChIKeyLIVLZDKOTBZPJW-GXDHUFHOSA-N
MW203.28 g/mol
LogP3.50
Rot. Bonds4

About ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate

ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate (PubChem CID 14878015) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate.

Molecular Properties

Compound Nameethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate
PubChem CID14878015
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Nameethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate
SMILESCCO/C=N/C(=C(C)C)c1ccccc1
InChIInChI=1S/C13H17NO/c1-4-15-10-14-13(11(2)3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3/b14-10+
InChIKeyLIVLZDKOTBZPJW-GXDHUFHOSA-N
XLogP3.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.50
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-(2-methyl-1-phenylprop-1-enyl)methanimidate?
The IUPAC name of ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate (CID 14878015) is ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate.
What is the SMILES notation for ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate?
The canonical SMILES for ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate is CCO/C=N/C(=C(C)C)c1ccccc1.
What is the InChIKey of ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate?
The InChIKey is LIVLZDKOTBZPJW-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-15-10-14-13(11(2)3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3/b14-10+.
What are the key properties of ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate?
ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate has a molecular weight of 203.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methyl-1-phenylprop-1-enyl)methanimidate is sourced from PubChem (CID 14878015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).