[(E)-1-naphthalen-2-ylethylideneamino] benzoate

C19H15NO2 — CID 18602824

IUPAC[(E)-1-naphthalen-2-ylethylideneamino] benzoate
SMILESC/C(=N\OC(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO2/c1-14(20-22-19(21)16-8-3-2-4-9-16)17-12-11-15-7-5-6-10-18(15)13-17/h2-13H,1H3/b20-14+
InChIKeyHNIYRVRELBTJRT-XSFVSMFZSA-N
MW289.33 g/mol
LogP4.42
Rot. Bonds3

About [(E)-1-naphthalen-2-ylethylideneamino] benzoate

[(E)-1-naphthalen-2-ylethylideneamino] benzoate (PubChem CID 18602824) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is [(E)-1-naphthalen-2-ylethylideneamino] benzoate.

Molecular Properties

Compound Name[(E)-1-naphthalen-2-ylethylideneamino] benzoate
PubChem CID18602824
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name[(E)-1-naphthalen-2-ylethylideneamino] benzoate
SMILESC/C(=N\OC(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO2/c1-14(20-22-19(21)16-8-3-2-4-9-16)17-12-11-15-7-5-6-10-18(15)13-17/h2-13H,1H3/b20-14+
InChIKeyHNIYRVRELBTJRT-XSFVSMFZSA-N
XLogP4.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-naphthalen-2-ylethylideneamino] benzoate?
The IUPAC name of [(E)-1-naphthalen-2-ylethylideneamino] benzoate (CID 18602824) is [(E)-1-naphthalen-2-ylethylideneamino] benzoate.
What is the SMILES notation for [(E)-1-naphthalen-2-ylethylideneamino] benzoate?
The canonical SMILES for [(E)-1-naphthalen-2-ylethylideneamino] benzoate is C/C(=N\OC(=O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of [(E)-1-naphthalen-2-ylethylideneamino] benzoate?
The InChIKey is HNIYRVRELBTJRT-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H15NO2/c1-14(20-22-19(21)16-8-3-2-4-9-16)17-12-11-15-7-5-6-10-18(15)13-17/h2-13H,1H3/b20-14+.
What are the key properties of [(E)-1-naphthalen-2-ylethylideneamino] benzoate?
[(E)-1-naphthalen-2-ylethylideneamino] benzoate has a molecular weight of 289.33 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-naphthalen-2-ylethylideneamino] benzoate is sourced from PubChem (CID 18602824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).