methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate

C14H15NO2 — CID 115506313

IUPACmethyl 2-(7-methoxynaphthalen-1-yl)ethanimidate
SMILES[H]/N=C(/Cc1cccc2ccc(OC)cc12)OC
InChIInChI=1S/C14H15NO2/c1-16-12-7-6-10-4-3-5-11(13(10)9-12)8-14(15)17-2/h3-7,9,15H,8H2,1-2H3/b15-14-
InChIKeyPFOOWYXBWMLSLB-PFONDFGASA-N
MW229.28 g/mol
LogP3.01
Rot. Bonds3

About methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate

methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate (PubChem CID 115506313) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate.

Molecular Properties

Compound Namemethyl 2-(7-methoxynaphthalen-1-yl)ethanimidate
PubChem CID115506313
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-(7-methoxynaphthalen-1-yl)ethanimidate
SMILES[H]/N=C(/Cc1cccc2ccc(OC)cc12)OC
InChIInChI=1S/C14H15NO2/c1-16-12-7-6-10-4-3-5-11(13(10)9-12)8-14(15)17-2/h3-7,9,15H,8H2,1-2H3/b15-14-
InChIKeyPFOOWYXBWMLSLB-PFONDFGASA-N
XLogP3.01
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(7-methoxynaphthalen-1-yl)ethanimidate?
The IUPAC name of methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate (CID 115506313) is methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate.
What is the SMILES notation for methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate?
The canonical SMILES for methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate is [H]/N=C(/Cc1cccc2ccc(OC)cc12)OC.
What is the InChIKey of methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate?
The InChIKey is PFOOWYXBWMLSLB-PFONDFGASA-N. The full InChI is InChI=1S/C14H15NO2/c1-16-12-7-6-10-4-3-5-11(13(10)9-12)8-14(15)17-2/h3-7,9,15H,8H2,1-2H3/b15-14-.
What are the key properties of methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate?
methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate has a molecular weight of 229.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate is sourced from PubChem (CID 115506313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).