[2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide

C16H10N3O3- — CID 135796386

IUPAC[2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide
SMILES[N-]=C=C(/N=N/c1ccc(C(=O)O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H10N3O3/c17-10-14(15(20)11-4-2-1-3-5-11)19-18-13-8-6-12(7-9-13)16(21)22/h1-9H,(H,21,22)/q-1/b19-18+
InChIKeyUCKYSLCVMVLWJZ-VHEBQXMUSA-N
MW292.27 g/mol
LogP3.47
Rot. Bonds5

About [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide

[2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide (PubChem CID 135796386) has the molecular formula C16H10N3O3- and a molecular weight of 292.27 g/mol. Its IUPAC name is [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide.

Molecular Properties

Compound Name[2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide
PubChem CID135796386
Molecular FormulaC16H10N3O3-
Molecular Weight292.27 g/mol
Exact Mass292.07
IUPAC Name[2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide
SMILES[N-]=C=C(/N=N/c1ccc(C(=O)O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H10N3O3/c17-10-14(15(20)11-4-2-1-3-5-11)19-18-13-8-6-12(7-9-13)16(21)22/h1-9H,(H,21,22)/q-1/b19-18+
InChIKeyUCKYSLCVMVLWJZ-VHEBQXMUSA-N
XLogP3.47
TPSA101.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide
CID 136679784
4-phenyldiazenylbenzoic acid
CID 15276
[2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide
CID 135608726
4-[[1-imino-3-(methylamino)-3-oxoprop-1-en-2-yl]diazenyl]benzoic acid
CID 176532184
[2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide
CID 135831326
3-phenyldiazenylbenzoic acid
CID 555783
3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
CID 135514875
cyclodecapentaenecarboxylic acid;methane
CID 162272407
benzoic acid;zirconium
CID 173089080
Lithium benzoate, 99%
CID 57451198
CID 87293530
CID 87293530
benzoic acid;trihydrate
CID 157398339

Frequently Asked Questions

What is the IUPAC name of [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide?
The IUPAC name of [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide (CID 135796386) is [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide.
What is the SMILES notation for [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide?
The canonical SMILES for [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide is [N-]=C=C(/N=N/c1ccc(C(=O)O)cc1)C(=O)c1ccccc1.
What is the InChIKey of [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide?
The InChIKey is UCKYSLCVMVLWJZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H10N3O3/c17-10-14(15(20)11-4-2-1-3-5-11)19-18-13-8-6-12(7-9-13)16(21)22/h1-9H,(H,21,22)/q-1/b19-18+.
What are the key properties of [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide?
[2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide has a molecular weight of 292.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide is sourced from PubChem (CID 135796386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).