(E)-4-bromobut-2-enamide;ethane

C6H12BrNO — CID 145199796

IUPAC(E)-4-bromobut-2-enamide;ethane
SMILESCC.NC(=O)/C=C/CBr
InChIInChI=1S/C4H6BrNO.C2H6/c5-3-1-2-4(6)7;1-2/h1-2H,3H2,(H2,6,7);1-2H3/b2-1+;
InChIKeyTWQXULOUJMNVPE-TYYBGVCCSA-N
MW194.07 g/mol
LogP1.45
Rot. Bonds2

About (E)-4-bromobut-2-enamide;ethane

(E)-4-bromobut-2-enamide;ethane (PubChem CID 145199796) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is (E)-4-bromobut-2-enamide;ethane.

Molecular Properties

Compound Name(E)-4-bromobut-2-enamide;ethane
PubChem CID145199796
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC Name(E)-4-bromobut-2-enamide;ethane
SMILESCC.NC(=O)/C=C/CBr
InChIInChI=1S/C4H6BrNO.C2H6/c5-3-1-2-4(6)7;1-2/h1-2H,3H2,(H2,6,7);1-2H3/b2-1+;
InChIKeyTWQXULOUJMNVPE-TYYBGVCCSA-N
XLogP1.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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)-4-bromobut-2-enamide;ethane?
The IUPAC name of (E)-4-bromobut-2-enamide;ethane (CID 145199796) is (E)-4-bromobut-2-enamide;ethane.
What is the SMILES notation for (E)-4-bromobut-2-enamide;ethane?
The canonical SMILES for (E)-4-bromobut-2-enamide;ethane is CC.NC(=O)/C=C/CBr.
What is the InChIKey of (E)-4-bromobut-2-enamide;ethane?
The InChIKey is TWQXULOUJMNVPE-TYYBGVCCSA-N. The full InChI is InChI=1S/C4H6BrNO.C2H6/c5-3-1-2-4(6)7;1-2/h1-2H,3H2,(H2,6,7);1-2H3/b2-1+;.
What are the key properties of (E)-4-bromobut-2-enamide;ethane?
(E)-4-bromobut-2-enamide;ethane has a molecular weight of 194.07 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromobut-2-enamide;ethane is sourced from PubChem (CID 145199796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).