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

C10H10FN3O2 — CID 135464772

IUPAC2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide
SMILESCC(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-SVLCBZDHSA-N
MW223.21 g/mol
LogP2.18
Rot. Bonds3

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

2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide (PubChem CID 135464772) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide
PubChem CID135464772
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide
SMILESCC(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-SVLCBZDHSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide?
The IUPAC name of 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide (CID 135464772) is 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide.
What is the SMILES notation for 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide?
The canonical SMILES for 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide is CC(O)=C(/N=N/c1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide?
The InChIKey is FORQKPUNNROCSA-SVLCBZDHSA-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 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide?
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 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide is sourced from PubChem (CID 135464772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).