(E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid

C10H10N2O3 — CID 135515609

IUPAC(E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid
SMILESC/C(O)=C(\N=N\c1ccccc1)C(=O)O
InChIInChI=1S/C10H10N2O3/c1-7(13)9(10(14)15)12-11-8-5-3-2-4-6-8/h2-6,13H,1H3,(H,14,15)/b9-7+,12-11+
InChIKeyWSZOSDBRLGDWKG-RLQODHJXSA-N
MW206.20 g/mol
LogP2.64
Rot. Bonds3

About (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid

(E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid (PubChem CID 135515609) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid
PubChem CID135515609
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid
SMILESC/C(O)=C(\N=N\c1ccccc1)C(=O)O
InChIInChI=1S/C10H10N2O3/c1-7(13)9(10(14)15)12-11-8-5-3-2-4-6-8/h2-6,13H,1H3,(H,14,15)/b9-7+,12-11+
InChIKeyWSZOSDBRLGDWKG-RLQODHJXSA-N
XLogP2.64
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid?
The IUPAC name of (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid (CID 135515609) is (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid.
What is the SMILES notation for (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid?
The canonical SMILES for (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid is C/C(O)=C(\N=N\c1ccccc1)C(=O)O.
What is the InChIKey of (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid?
The InChIKey is WSZOSDBRLGDWKG-RLQODHJXSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7(13)9(10(14)15)12-11-8-5-3-2-4-6-8/h2-6,13H,1H3,(H,14,15)/b9-7+,12-11+.
What are the key properties of (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid?
(E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid has a molecular weight of 206.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-phenyldiazenylbut-2-enoic acid is sourced from PubChem (CID 135515609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).