3-hydroxy-2-phenyldiazenylbut-2-enamide

C10H11N3O2 — CID 135543401

IUPAC3-hydroxy-2-phenyldiazenylbut-2-enamide
SMILESCC(O)=C(/N=N/c1ccccc1)C(N)=O
InChIInChI=1S/C10H11N3O2/c1-7(14)9(10(11)15)13-12-8-5-3-2-4-6-8/h2-6,14H,1H3,(H2,11,15)/b9-7?,13-12+
InChIKeyWUBFXAJSFLACFI-FQQUNNMPSA-N
MW205.22 g/mol
LogP2.05
Rot. Bonds3

About 3-hydroxy-2-phenyldiazenylbut-2-enamide

3-hydroxy-2-phenyldiazenylbut-2-enamide (PubChem CID 135543401) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-hydroxy-2-phenyldiazenylbut-2-enamide.

Molecular Properties

Compound Name3-hydroxy-2-phenyldiazenylbut-2-enamide
PubChem CID135543401
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-hydroxy-2-phenyldiazenylbut-2-enamide
SMILESCC(O)=C(/N=N/c1ccccc1)C(N)=O
InChIInChI=1S/C10H11N3O2/c1-7(14)9(10(11)15)13-12-8-5-3-2-4-6-8/h2-6,14H,1H3,(H2,11,15)/b9-7?,13-12+
InChIKeyWUBFXAJSFLACFI-FQQUNNMPSA-N
XLogP2.05
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.05
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 3-hydroxy-2-phenyldiazenylbut-2-enamide?
The IUPAC name of 3-hydroxy-2-phenyldiazenylbut-2-enamide (CID 135543401) is 3-hydroxy-2-phenyldiazenylbut-2-enamide.
What is the SMILES notation for 3-hydroxy-2-phenyldiazenylbut-2-enamide?
The canonical SMILES for 3-hydroxy-2-phenyldiazenylbut-2-enamide is CC(O)=C(/N=N/c1ccccc1)C(N)=O.
What is the InChIKey of 3-hydroxy-2-phenyldiazenylbut-2-enamide?
The InChIKey is WUBFXAJSFLACFI-FQQUNNMPSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(14)9(10(11)15)13-12-8-5-3-2-4-6-8/h2-6,14H,1H3,(H2,11,15)/b9-7?,13-12+.
What are the key properties of 3-hydroxy-2-phenyldiazenylbut-2-enamide?
3-hydroxy-2-phenyldiazenylbut-2-enamide has a molecular weight of 205.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyldiazenylbut-2-enamide is sourced from PubChem (CID 135543401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).