(E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide

C11H12BrNO2 — CID 11747632

IUPAC(E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-13(15-2)11(14)8-5-9-3-6-10(12)7-4-9/h3-8H,1-2H3/b8-5+
InChIKeyDOAORVLWRLTVNL-VMPITWQZSA-N
MW270.13 g/mol
LogP2.48
Rot. Bonds3

About (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide

(E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide (PubChem CID 11747632) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide
PubChem CID11747632
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-13(15-2)11(14)8-5-9-3-6-10(12)7-4-9/h3-8H,1-2H3/b8-5+
InChIKeyDOAORVLWRLTVNL-VMPITWQZSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide (CID 11747632) is (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide is CON(C)C(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide?
The InChIKey is DOAORVLWRLTVNL-VMPITWQZSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-13(15-2)11(14)8-5-9-3-6-10(12)7-4-9/h3-8H,1-2H3/b8-5+.
What are the key properties of (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide?
(E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide has a molecular weight of 270.13 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 11747632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).