(2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide

C13H14N2O — CID 46838807

IUPAC(2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-3-5-10-13(16)15-14-11-12-8-6-4-7-9-12/h2-11H,1H3,(H,15,16)/b3-2+,10-5+,14-11+
InChIKeyIFFKKMHXEXDDIZ-BOWJWROISA-N
MW214.27 g/mol
LogP2.27
Rot. Bonds4

About (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide

(2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide (PubChem CID 46838807) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide
PubChem CID46838807
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-3-5-10-13(16)15-14-11-12-8-6-4-7-9-12/h2-11H,1H3,(H,15,16)/b3-2+,10-5+,14-11+
InChIKeyIFFKKMHXEXDDIZ-BOWJWROISA-N
XLogP2.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Ethanedioic acid, 1,2-bis[2-(phenylmethylene)hydrazide]
CID 6861531
3-Phenyl-6-pyridazone
CID 75106
6-(4-Methylphenyl)pyridazin-3-ol
CID 687205
Benzaldehyde semicarbazone
CID 6861419
6-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyridazin-3-one
CID 5707079
6-(4-Fluorophenyl)pyridazin-3-ol
CID 4564862
5-[((1E)-2-phenyl-1-azavinyl)amino]-4-chloro-2-hydropyridazin-3-one
CID 9569641
Acetic acid, cyano-, (phenylmethylene)hydrazide, (E)-
CID 6869220
5-Phenylpyridazin-3(2H)-one
CID 12864815
Ethanedioic acid, bis((phenylmethylene)hydrazide)
CID 96146
5-{[(1Z)-2-(3-methylphenyl)-1-azavinyl]amino}-4-chloro-2-hydropyridazin-3-one
CID 5781448
5-{[(1Z)-2-(4-methylphenyl)-1-azavinyl]amino}-4-chloro-2-hydropyridazin-3-one
CID 6394619

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide (CID 46838807) is (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide is C/C=C/C=C/C(=O)N/N=C/c1ccccc1.
What is the InChIKey of (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide?
The InChIKey is IFFKKMHXEXDDIZ-BOWJWROISA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-3-5-10-13(16)15-14-11-12-8-6-4-7-9-12/h2-11H,1H3,(H,15,16)/b3-2+,10-5+,14-11+.
What are the key properties of (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide?
(2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide has a molecular weight of 214.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(E)-benzylideneamino]hexa-2,4-dienamide is sourced from PubChem (CID 46838807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).