4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid

C16H14N2O3 — CID 1484331

IUPAC4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid
SMILESO=C(C=C(C(=O)O)c1ccccc1)NNc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(18-17-13-9-5-2-6-10-13)11-14(16(20)21)12-7-3-1-4-8-12/h1-11,17H,(H,18,19)(H,20,21)
InChIKeyCWLGRMOQONJRHN-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.30
Rot. Bonds5

About 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid

4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid (PubChem CID 1484331) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid.

Molecular Properties

Compound Name4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid
PubChem CID1484331
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid
SMILESO=C(C=C(C(=O)O)c1ccccc1)NNc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(18-17-13-9-5-2-6-10-13)11-14(16(20)21)12-7-3-1-4-8-12/h1-11,17H,(H,18,19)(H,20,21)
InChIKeyCWLGRMOQONJRHN-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(methylamino)-4-oxo-2-phenylbut-2-enoic acid;(E)-4-(methylamino)-4-oxo-2-phenylbut-2-enoic acid
CID 44889659
N'-phenylprop-2-enehydrazide
CID 21179187
(E)-4-oxo-2-phenyl-4-sulfanylbut-2-enoic acid
CID 87803476
4-(ethoxyamino)-4-oxo-2-phenylbut-2-enoic acid
CID 54490390
(Z)-3-cyano-2-phenylprop-2-enoic acid
CID 18415171
(E)-3-anilino-1,2-diphenylprop-2-en-1-one
CID 6292138
N-anilinocarbamoyl chloride
CID 57449233
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
1-anilino-3-hydroxyurea
CID 2763972
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
2-hydroxy-5-phenylhexa-2,4-dienedioic acid
CID 71424281

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid?
The IUPAC name of 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid (CID 1484331) is 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid.
What is the SMILES notation for 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid?
The canonical SMILES for 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid is O=C(C=C(C(=O)O)c1ccccc1)NNc1ccccc1.
What is the InChIKey of 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid?
The InChIKey is CWLGRMOQONJRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(18-17-13-9-5-2-6-10-13)11-14(16(20)21)12-7-3-1-4-8-12/h1-11,17H,(H,18,19)(H,20,21).
What are the key properties of 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid?
4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-4-(2-phenylhydrazinyl)but-2-enoic acid is sourced from PubChem (CID 1484331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).