ethyl (2R)-2-naphthalen-1-ylpropanimidate

C15H17NO — CID 125482939

IUPACethyl (2R)-2-naphthalen-1-ylpropanimidate
SMILES[H]/N=C(\OCC)[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C15H17NO/c1-3-17-15(16)11(2)13-10-6-8-12-7-4-5-9-14(12)13/h4-11,16H,3H2,1-2H3/b16-15-/t11-/m1/s1
InChIKeyWAZVFYQBIJMNLF-YZSSSTSJSA-N
MW227.31 g/mol
LogP3.96
Rot. Bonds3

About ethyl (2R)-2-naphthalen-1-ylpropanimidate

ethyl (2R)-2-naphthalen-1-ylpropanimidate (PubChem CID 125482939) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is ethyl (2R)-2-naphthalen-1-ylpropanimidate.

Molecular Properties

Compound Nameethyl (2R)-2-naphthalen-1-ylpropanimidate
PubChem CID125482939
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Nameethyl (2R)-2-naphthalen-1-ylpropanimidate
SMILES[H]/N=C(\OCC)[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C15H17NO/c1-3-17-15(16)11(2)13-10-6-8-12-7-4-5-9-14(12)13/h4-11,16H,3H2,1-2H3/b16-15-/t11-/m1/s1
InChIKeyWAZVFYQBIJMNLF-YZSSSTSJSA-N
XLogP3.96
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
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 (2R)-2-naphthalen-1-ylpropanimidate?
The IUPAC name of ethyl (2R)-2-naphthalen-1-ylpropanimidate (CID 125482939) is ethyl (2R)-2-naphthalen-1-ylpropanimidate.
What is the SMILES notation for ethyl (2R)-2-naphthalen-1-ylpropanimidate?
The canonical SMILES for ethyl (2R)-2-naphthalen-1-ylpropanimidate is [H]/N=C(\OCC)[C@H](C)c1cccc2ccccc12.
What is the InChIKey of ethyl (2R)-2-naphthalen-1-ylpropanimidate?
The InChIKey is WAZVFYQBIJMNLF-YZSSSTSJSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-17-15(16)11(2)13-10-6-8-12-7-4-5-9-14(12)13/h4-11,16H,3H2,1-2H3/b16-15-/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-naphthalen-1-ylpropanimidate?
ethyl (2R)-2-naphthalen-1-ylpropanimidate has a molecular weight of 227.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-naphthalen-1-ylpropanimidate is sourced from PubChem (CID 125482939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).