4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid

C16H14N2O2 — CID 6893084

IUPAC4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H14N2O2/c19-16(20)14-8-10-15(11-9-14)18-17-12-4-7-13-5-2-1-3-6-13/h1-12,18H,(H,19,20)/b7-4+,17-12+
InChIKeyMUHJGLSGNVACDJ-FZHIPVGDSA-N
MW266.30 g/mol
LogP3.50
Rot. Bonds5

About 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid

4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid (PubChem CID 6893084) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid
PubChem CID6893084
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H14N2O2/c19-16(20)14-8-10-15(11-9-14)18-17-12-4-7-13-5-2-1-3-6-13/h1-12,18H,(H,19,20)/b7-4+,17-12+
InChIKeyMUHJGLSGNVACDJ-FZHIPVGDSA-N
XLogP3.50
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-Hydrazinobenzoic acid
CID 12089
Benzoic acid, 4-hydrazinyl-, hydrochloride (1:1)
CID 90547
4-Phenylazobenzoic acid
CID 15276
4-(benzylideneamino)benzoic Acid
CID 687887
Benzoic acid, 4-[2-(4-aminophenyl)diazenyl]-
CID 81343
3-{2-[4-(Dimethylamino)benzylidene]hydrazino}benzoic acid
CID 9584981
3-[(2E)-2-[(3,4-difluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 9671133
4,4'-Azobisbenzoic acid
CID 11471
4-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid
CID 6899477
4-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazino]benzoic acid
CID 9613373
4-{(2E)-2-[3-(trifluoromethyl)benzylidene]hydrazino}benzoic acid
CID 9623595
CID 9629901
CID 9629901

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid (CID 6893084) is 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid is O=C(O)c1ccc(N/N=C/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid?
The InChIKey is MUHJGLSGNVACDJ-FZHIPVGDSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20)14-8-10-15(11-9-14)18-17-12-4-7-13-5-2-1-3-6-13/h1-12,18H,(H,19,20)/b7-4+,17-12+.
What are the key properties of 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid?
4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid has a molecular weight of 266.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 6893084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).