4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile

C19H16N4 — CID 143521516

IUPAC4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile
SMILESC=CN(/N=C\C)C(c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C19H16N4/c1-3-22-23(4-2)19(17-9-5-15(13-20)6-10-17)18-11-7-16(14-21)8-12-18/h3-12,19H,2H2,1H3/b22-3-
InChIKeyOEOOMRCKWOBHNF-XQFZAKLLSA-N
MW300.37 g/mol
LogP3.97
Rot. Bonds5

About 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile

4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile (PubChem CID 143521516) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile
PubChem CID143521516
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile
SMILESC=CN(/N=C\C)C(c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C19H16N4/c1-3-22-23(4-2)19(17-9-5-15(13-20)6-10-17)18-11-7-16(14-21)8-12-18/h3-12,19H,2H2,1H3/b22-3-
InChIKeyOEOOMRCKWOBHNF-XQFZAKLLSA-N
XLogP3.97
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[methyl-[(Z)-prop-1-enyl]amino]but-3-enyl]benzonitrile
CID 134382668
4-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171217684
4-[(1R)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171198176
4-hex-1-en-3-ylbenzonitrile
CID 134967082
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(1-trimethylsilyloxybut-3-enyl)benzonitrile
CID 132540414
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile;ethane
CID 143811392
4-[(2R)-3-methylbutan-2-yl]benzonitrile
CID 89060357
4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428
4-[(Z)-hex-4-en-3-yl]benzonitrile
CID 163526754
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile?
The IUPAC name of 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile (CID 143521516) is 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile?
The canonical SMILES for 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile is C=CN(/N=C\C)C(c1ccc(C#N)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile?
The InChIKey is OEOOMRCKWOBHNF-XQFZAKLLSA-N. The full InChI is InChI=1S/C19H16N4/c1-3-22-23(4-2)19(17-9-5-15(13-20)6-10-17)18-11-7-16(14-21)8-12-18/h3-12,19H,2H2,1H3/b22-3-.
What are the key properties of 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile?
4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile has a molecular weight of 300.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)-[ethenyl-[(Z)-ethylideneamino]amino]methyl]benzonitrile is sourced from PubChem (CID 143521516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).