(E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine

C17H16N2 — CID 165352585

IUPAC(E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine
SMILESCC(=NN=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2/c1-15(17-12-6-3-7-13-17)19-18-14-8-11-16-9-4-2-5-10-16/h2-14H,1H3/b11-8+,18-14?,19-15?
InChIKeyPYRBRGGHXHEEOU-KWJIMMMMSA-N
MW248.33 g/mol
LogP4.19
Rot. Bonds4

About (E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine

(E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine (PubChem CID 165352585) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine
PubChem CID165352585
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine
SMILESCC(=NN=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2/c1-15(17-12-6-3-7-13-17)19-18-14-8-11-16-9-4-2-5-10-16/h2-14H,1H3/b11-8+,18-14?,19-15?
InChIKeyPYRBRGGHXHEEOU-KWJIMMMMSA-N
XLogP4.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine?
The IUPAC name of (E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine (CID 165352585) is (E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine.
What is the SMILES notation for (E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine?
The canonical SMILES for (E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine is CC(=NN=C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine?
The InChIKey is PYRBRGGHXHEEOU-KWJIMMMMSA-N. The full InChI is InChI=1S/C17H16N2/c1-15(17-12-6-3-7-13-17)19-18-14-8-11-16-9-4-2-5-10-16/h2-14H,1H3/b11-8+,18-14?,19-15?.
What are the key properties of (E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine?
(E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine has a molecular weight of 248.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine is sourced from PubChem (CID 165352585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).