(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide

C11H8Br2N2O2 — CID 54676905

IUPAC(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\C#N)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-
InChIKeyUVSVTDVJQAJIFG-VURMDHGXSA-N
MW360.01 g/mol
LogP3.51
Rot. Bonds2

About (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide

(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide (PubChem CID 54676905) has the molecular formula C11H8Br2N2O2 and a molecular weight of 360.01 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide
PubChem CID54676905
Molecular FormulaC11H8Br2N2O2
Molecular Weight360.01 g/mol
Exact Mass357.90
IUPAC Name(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\C#N)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-
InChIKeyUVSVTDVJQAJIFG-VURMDHGXSA-N
XLogP3.51
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.01
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_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 (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide (CID 54676905) is (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide is C/C(O)=C(\C#N)C(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide?
The InChIKey is UVSVTDVJQAJIFG-VURMDHGXSA-N. The full InChI is InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-.
What are the key properties of (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide?
(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide has a molecular weight of 360.01 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide is sourced from PubChem (CID 54676905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).