(E)-3-(4-bromophenyl)prop-2-enamide

C9H8BrNO — CID 14914484

IUPAC(E)-3-(4-bromophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+
InChIKeyPFAWHKGYPQXDSK-ZZXKWVIFSA-N
MW226.07 g/mol
LogP1.95
Rot. Bonds2

About (E)-3-(4-bromophenyl)prop-2-enamide

(E)-3-(4-bromophenyl)prop-2-enamide (PubChem CID 14914484) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)prop-2-enamide
PubChem CID14914484
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name(E)-3-(4-bromophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+
InChIKeyPFAWHKGYPQXDSK-ZZXKWVIFSA-N
XLogP1.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 51.95
H-Bond Donors ≤ 51
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)prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)prop-2-enamide (CID 14914484) is (E)-3-(4-bromophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)prop-2-enamide is NC(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)prop-2-enamide?
The InChIKey is PFAWHKGYPQXDSK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+.
What are the key properties of (E)-3-(4-bromophenyl)prop-2-enamide?
(E)-3-(4-bromophenyl)prop-2-enamide has a molecular weight of 226.07 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)prop-2-enamide is sourced from PubChem (CID 14914484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).