(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide

C16H14N4O5 — CID 135941732

IUPAC(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
SMILESC/C(O)=C(/N=N/c1ccc([N+](=O)[O-])cc1O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H14N4O5/c1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-8-7-12(20(24)25)9-14(13)22/h2-9,21-22H,1H3,(H,17,23)/b15-10-,19-18+
InChIKeyYCVUMAWDCGSWGX-PXJVAEEZSA-N
MW342.31 g/mol
LogP3.81
Rot. Bonds5

About (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide

(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide (PubChem CID 135941732) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
PubChem CID135941732
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC Name(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
SMILESC/C(O)=C(/N=N/c1ccc([N+](=O)[O-])cc1O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H14N4O5/c1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-8-7-12(20(24)25)9-14(13)22/h2-9,21-22H,1H3,(H,17,23)/b15-10-,19-18+
InChIKeyYCVUMAWDCGSWGX-PXJVAEEZSA-N
XLogP3.81
TPSA137.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
2-[(2,3-dimethyl-5-nitrophenyl)diazenyl]-3-methyl-N-phenylbut-2-enamide
CID 58518783
sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide
CID 163360368
3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide
CID 157218994
[(E)-4-anilino-3-[(2-methoxy-4-nitrophenyl)diazenyl]-4-oxobut-2-en-2-yl] propan-2-yl carbonate
CID 89092881
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide
CID 135624062
bis(2-[[(Z)-1-anilino-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-nitrophenolate);butan-1-amine;cobalt(3+);hydron
CID 135990919
disodium;5-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-2-[4-[[(E)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methyl-2-sulfonatophenyl]-4-methylbenzenesulfonate
CID 136595430
(E)-3-hydroxy-N-(2-methylphenyl)-2-[(4-nitrophenyl)diazenyl]but-2-enamide
CID 139063434
3-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid
CID 177442987
lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)
CID 91809160
3-[[3-hydroxy-1-(3-nitroanilino)-1-oxobut-2-en-2-yl]diazenyl]-N-(3-sulfamoylphenyl)benzamide
CID 154008052

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide?
The IUPAC name of (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide (CID 135941732) is (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide is C/C(O)=C(/N=N/c1ccc([N+](=O)[O-])cc1O)C(=O)Nc1ccccc1.
What is the InChIKey of (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide?
The InChIKey is YCVUMAWDCGSWGX-PXJVAEEZSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-8-7-12(20(24)25)9-14(13)22/h2-9,21-22H,1H3,(H,17,23)/b15-10-,19-18+.
What are the key properties of (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide?
(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide has a molecular weight of 342.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide is sourced from PubChem (CID 135941732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).