(E)-3-hydroxy-2-phenyldiazenylbut-2-enamide

C10H11N3O2 — CID 135523678

IUPAC(E)-3-hydroxy-2-phenyldiazenylbut-2-enamide
SMILESC/C(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-JCSVKFCRSA-N
MW205.22 g/mol
LogP2.05
Rot. Bonds3

About (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide

(E)-3-hydroxy-2-phenyldiazenylbut-2-enamide (PubChem CID 135523678) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-hydroxy-2-phenyldiazenylbut-2-enamide
PubChem CID135523678
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(E)-3-hydroxy-2-phenyldiazenylbut-2-enamide
SMILESC/C(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-JCSVKFCRSA-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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Related Compounds

3-(2-Phenylhydrazin-1-ylidene)pentane-2,4-dione
CID 135454393
3-[(4-Fluorophenyl)hydrazono]pentane-2,4-dione
CID 135485244
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one
CID 162739690
N-Methyl-3-oxo-2-(phenylhydrazono)butanamide
CID 135624068
3-Oxo-2-(phenylhydrazono)butanoic acid
CID 135515609
3-Phenylhydrazonopentane-2,4-dione
CID 135454053
(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135411653
1-Acetyl-2-phenyldiazene
CID 12280523
Butanamide, 3-oxo-2-(phenylhydrazono)-
CID 135522046
3-[2-(2,4-Difluorophenyl)hydrazono]pentane-2,4-dione
CID 135403811
(Z)-3-[(4-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135408318
1,1,1-Trifluoro-2,3,4-pentanetrione 3-(phenylhydrazone)
CID 135437360

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide?
The IUPAC name of (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide (CID 135523678) is (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide.
What is the SMILES notation for (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide?
The canonical SMILES for (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide is C/C(O)=C(\N=N\c1ccccc1)C(N)=O.
What is the InChIKey of (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide?
The InChIKey is WUBFXAJSFLACFI-JCSVKFCRSA-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 (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide?
(E)-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 (E)-3-hydroxy-2-phenyldiazenylbut-2-enamide is sourced from PubChem (CID 135523678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).