(E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid

C10H9NO4 — CID 1201178

IUPAC(E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H9NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-6,12H,(H,11,13)(H,14,15)/b6-5+
InChIKeyAZQFAMKEDIARJR-AATRIKPKSA-N
MW207.19 g/mol
LogP0.97
Rot. Bonds3

About (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid

(E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid (PubChem CID 1201178) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid
PubChem CID1201178
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name(E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H9NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-6,12H,(H,11,13)(H,14,15)/b6-5+
InChIKeyAZQFAMKEDIARJR-AATRIKPKSA-N
XLogP0.97
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid (CID 1201178) is (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid is O=C(O)/C=C/C(=O)Nc1ccc(O)cc1.
What is the InChIKey of (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid?
The InChIKey is AZQFAMKEDIARJR-AATRIKPKSA-N. The full InChI is InChI=1S/C10H9NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-6,12H,(H,11,13)(H,14,15)/b6-5+.
What are the key properties of (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid?
(E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid has a molecular weight of 207.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 1201178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).