(E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide

C9H8BrNO2 — CID 11715696

IUPAC(E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NO
InChIInChI=1S/C9H8BrNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+
InChIKeyDVRCLYFYRNXWEC-ZZXKWVIFSA-N
MW242.07 g/mol
LogP1.97
Rot. Bonds2

About (E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide

(E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide (PubChem CID 11715696) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide
PubChem CID11715696
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name(E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NO
InChIInChI=1S/C9H8BrNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+
InChIKeyDVRCLYFYRNXWEC-ZZXKWVIFSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide (CID 11715696) is (E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)NO.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide?
The InChIKey is DVRCLYFYRNXWEC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+.
What are the key properties of (E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide?
(E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide has a molecular weight of 242.07 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11715696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).