(E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide

C11H12ClN3O2 — CID 137179746

IUPAC(E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccc(Cl)cc1)=C(/C)O
InChIInChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-5-3-8(12)4-6-9/h3-6,16H,1-2H3,(H,13,17)/b10-7+,15-14+
InChIKeyHXPNORBRHNJKIQ-YFLNMOBYSA-N
MW253.69 g/mol
LogP2.96
Rot. Bonds3

About (E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide

(E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide (PubChem CID 137179746) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is (E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
PubChem CID137179746
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name(E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccc(Cl)cc1)=C(/C)O
InChIInChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-5-3-8(12)4-6-9/h3-6,16H,1-2H3,(H,13,17)/b10-7+,15-14+
InChIKeyHXPNORBRHNJKIQ-YFLNMOBYSA-N
XLogP2.96
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.96
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)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
The IUPAC name of (E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide (CID 137179746) is (E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide.
What is the SMILES notation for (E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
The canonical SMILES for (E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide is CNC(=O)C(/N=N/c1ccc(Cl)cc1)=C(/C)O.
What is the InChIKey of (E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
The InChIKey is HXPNORBRHNJKIQ-YFLNMOBYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-5-3-8(12)4-6-9/h3-6,16H,1-2H3,(H,13,17)/b10-7+,15-14+.
What are the key properties of (E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
(E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide has a molecular weight of 253.69 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide is sourced from PubChem (CID 137179746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).