(E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide

C11H12BrNO — CID 6312765

IUPAC(E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-13(2)11(14)8-5-9-3-6-10(12)7-4-9/h3-8H,1-2H3/b8-5+
InChIKeyZESQHCHWETWKBZ-VMPITWQZSA-N
MW254.13 g/mol
LogP2.55
Rot. Bonds2

About (E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide

(E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide (PubChem CID 6312765) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide
PubChem CID6312765
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-13(2)11(14)8-5-9-3-6-10(12)7-4-9/h3-8H,1-2H3/b8-5+
InChIKeyZESQHCHWETWKBZ-VMPITWQZSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.55
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-(4-bromophenyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide (CID 6312765) is (E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide?
The InChIKey is ZESQHCHWETWKBZ-VMPITWQZSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-13(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,N-dimethylprop-2-enamide?
(E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide has a molecular weight of 254.13 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 6312765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).