(2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide

C11H10BrNO2 — CID 6258369

IUPAC(2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide
SMILESCC(=O)/C(=C/c1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C11H10BrNO2/c1-7(14)10(11(13)15)6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,15)/b10-6-
InChIKeyUVNMGFIYWVALBG-POHAHGRESA-N
MW268.11 g/mol
LogP1.91
Rot. Bonds3

About (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide

(2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide (PubChem CID 6258369) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide.

Molecular Properties

Compound Name(2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide
PubChem CID6258369
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name(2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide
SMILESCC(=O)/C(=C/c1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C11H10BrNO2/c1-7(14)10(11(13)15)6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,15)/b10-6-
InChIKeyUVNMGFIYWVALBG-POHAHGRESA-N
XLogP1.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide?
The IUPAC name of (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide (CID 6258369) is (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide.
What is the SMILES notation for (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide?
The canonical SMILES for (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide is CC(=O)/C(=C/c1ccc(Br)cc1)C(N)=O.
What is the InChIKey of (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide?
The InChIKey is UVNMGFIYWVALBG-POHAHGRESA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-7(14)10(11(13)15)6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,15)/b10-6-.
What are the key properties of (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide?
(2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide has a molecular weight of 268.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanamide is sourced from PubChem (CID 6258369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).