(E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide

C10H10FN3O2 — CID 135777761

IUPAC(E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\N=N\c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C10H10FN3O2/c1-6(15)9(10(12)16)14-13-8-4-2-7(11)3-5-8/h2-5,15H,1H3,(H2,12,16)/b9-6+,14-13+
InChIKeyFORQKPUNNROCSA-BDXQXIFWSA-N
MW223.21 g/mol
LogP2.18
Rot. Bonds3

About (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide

(E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide (PubChem CID 135777761) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide
PubChem CID135777761
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name(E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\N=N\c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C10H10FN3O2/c1-6(15)9(10(12)16)14-13-8-4-2-7(11)3-5-8/h2-5,15H,1H3,(H2,12,16)/b9-6+,14-13+
InChIKeyFORQKPUNNROCSA-BDXQXIFWSA-N
XLogP2.18
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.18
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-Phenylhydrazono)pentane-2,4-dione
CID 135454393
3-[(4-Fluorophenyl)hydrazono]pentane-2,4-dione
CID 135485244
5-Amino-4-[(2-fluorophenyl)diazenyl]-1,2-oxazol-3-one
CID 162739681
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one
CID 162739690
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one
CID 162739706
N-Methyl-3-oxo-2-(phenylhydrazono)butanamide
CID 135624068
3-Phenylhydrazonopentane-2,4-dione
CID 135454053
(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135411653
Butanamide, 3-oxo-2-(phenylhydrazono)-
CID 135522046
5-Amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one
CID 3141337
3-[2-(2,4-Difluorophenyl)hydrazinylidene]pentane-2,4-dione
CID 135403811
(Z)-3-[(4-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135408318

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide?
The IUPAC name of (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide (CID 135777761) is (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide.
What is the SMILES notation for (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide?
The canonical SMILES for (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide is C/C(O)=C(\N=N\c1ccc(F)cc1)C(N)=O.
What is the InChIKey of (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide?
The InChIKey is FORQKPUNNROCSA-BDXQXIFWSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-6(15)9(10(12)16)14-13-8-4-2-7(11)3-5-8/h2-5,15H,1H3,(H2,12,16)/b9-6+,14-13+.
What are the key properties of (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide?
(E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide has a molecular weight of 223.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide is sourced from PubChem (CID 135777761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).