(E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine

C18H16N2O — CID 101072147

IUPAC(E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine
SMILESC=C=Nc1ccccc1/N=C/C=C/c1ccccc1OC
InChIInChI=1S/C18H16N2O/c1-3-19-16-11-5-6-12-17(16)20-14-8-10-15-9-4-7-13-18(15)21-2/h4-14H,1H2,2H3/b10-8+,20-14+
InChIKeyCOCKQGRSXLNECJ-JLIRAFJLSA-N
MW276.34 g/mol
LogP4.60
Rot. Bonds5

About (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine

(E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine (PubChem CID 101072147) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine
PubChem CID101072147
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine
SMILESC=C=Nc1ccccc1/N=C/C=C/c1ccccc1OC
InChIInChI=1S/C18H16N2O/c1-3-19-16-11-5-6-12-17(16)20-14-8-10-15-9-4-7-13-18(15)21-2/h4-14H,1H2,2H3/b10-8+,20-14+
InChIKeyCOCKQGRSXLNECJ-JLIRAFJLSA-N
XLogP4.60
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
The IUPAC name of (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine (CID 101072147) is (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine is C=C=Nc1ccccc1/N=C/C=C/c1ccccc1OC.
What is the InChIKey of (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
The InChIKey is COCKQGRSXLNECJ-JLIRAFJLSA-N. The full InChI is InChI=1S/C18H16N2O/c1-3-19-16-11-5-6-12-17(16)20-14-8-10-15-9-4-7-13-18(15)21-2/h4-14H,1H2,2H3/b10-8+,20-14+.
What are the key properties of (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
(E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine has a molecular weight of 276.34 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(ethenylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-imine is sourced from PubChem (CID 101072147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).