(E)-3-bromo-N-ethenyl-N-methylbut-2-enamide

C7H10BrNO — CID 166842012

IUPAC(E)-3-bromo-N-ethenyl-N-methylbut-2-enamide
SMILESC=CN(C)C(=O)/C=C(\C)Br
InChIInChI=1S/C7H10BrNO/c1-4-9(3)7(10)5-6(2)8/h4-5H,1H2,2-3H3/b6-5+
InChIKeyNPLDMFZBRMZOCZ-AATRIKPKSA-N
MW204.07 g/mol
LogP1.89
Rot. Bonds2

About (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide

(E)-3-bromo-N-ethenyl-N-methylbut-2-enamide (PubChem CID 166842012) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-bromo-N-ethenyl-N-methylbut-2-enamide
PubChem CID166842012
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name(E)-3-bromo-N-ethenyl-N-methylbut-2-enamide
SMILESC=CN(C)C(=O)/C=C(\C)Br
InChIInChI=1S/C7H10BrNO/c1-4-9(3)7(10)5-6(2)8/h4-5H,1H2,2-3H3/b6-5+
InChIKeyNPLDMFZBRMZOCZ-AATRIKPKSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide?
The IUPAC name of (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide (CID 166842012) is (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide.
What is the SMILES notation for (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide?
The canonical SMILES for (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide is C=CN(C)C(=O)/C=C(\C)Br.
What is the InChIKey of (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide?
The InChIKey is NPLDMFZBRMZOCZ-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-4-9(3)7(10)5-6(2)8/h4-5H,1H2,2-3H3/b6-5+.
What are the key properties of (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide?
(E)-3-bromo-N-ethenyl-N-methylbut-2-enamide has a molecular weight of 204.07 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromo-N-ethenyl-N-methylbut-2-enamide is sourced from PubChem (CID 166842012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).