2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid

C17H15N3O4 — CID 22035165

IUPAC2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid
SMILESC=C(C)C(=O)Nc1ccccc1/N=N/c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C17H15N3O4/c1-10(2)16(22)18-13-5-3-4-6-14(13)20-19-11-7-8-12(17(23)24)15(21)9-11/h3-9,21H,1H2,2H3,(H,18,22)(H,23,24)/b20-19+
InChIKeyANXPQAFIGCLOMY-FMQUCBEESA-N
MW325.32 g/mol
LogP4.02
Rot. Bonds5

About 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid

2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid (PubChem CID 22035165) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid
PubChem CID22035165
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid
SMILESC=C(C)C(=O)Nc1ccccc1/N=N/c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C17H15N3O4/c1-10(2)16(22)18-13-5-3-4-6-14(13)20-19-11-7-8-12(17(23)24)15(21)9-11/h3-9,21H,1H2,2H3,(H,18,22)(H,23,24)/b20-19+
InChIKeyANXPQAFIGCLOMY-FMQUCBEESA-N
XLogP4.02
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid (CID 22035165) is 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid is C=C(C)C(=O)Nc1ccccc1/N=N/c1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid?
The InChIKey is ANXPQAFIGCLOMY-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O4/c1-10(2)16(22)18-13-5-3-4-6-14(13)20-19-11-7-8-12(17(23)24)15(21)9-11/h3-9,21H,1H2,2H3,(H,18,22)(H,23,24)/b20-19+.
What are the key properties of 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid?
2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid has a molecular weight of 325.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 22035165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).