(E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide

C10H11BrN2O2 — CID 54705555

IUPAC(E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide
SMILESC/C(O)=C(\Br)C(=O)N(N)c1ccccc1
InChIInChI=1S/C10H11BrN2O2/c1-7(14)9(11)10(15)13(12)8-5-3-2-4-6-8/h2-6,14H,12H2,1H3/b9-7+
InChIKeyLIHINKFSNHEOTI-VQHVLOKHSA-N
MW271.11 g/mol
LogP2.08
Rot. Bonds2

About (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide

(E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide (PubChem CID 54705555) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide.

Molecular Properties

Compound Name(E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide
PubChem CID54705555
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide
SMILESC/C(O)=C(\Br)C(=O)N(N)c1ccccc1
InChIInChI=1S/C10H11BrN2O2/c1-7(14)9(11)10(15)13(12)8-5-3-2-4-6-8/h2-6,14H,12H2,1H3/b9-7+
InChIKeyLIHINKFSNHEOTI-VQHVLOKHSA-N
XLogP2.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylpropanehydrazide
CID 18522904
1,1-bis(N-phenylanilino)propan-2-one
CID 141093268
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CID 14470893
2-amino-N-phenylacetohydrazide
CID 70067236
2-bromo-N,N-diphenylprop-2-enamide
CID 15519224
1-[(Z)-but-2-en-2-yl]-1-phenylhydrazine;ethane
CID 143746169
benzyl N-amino-N-phenylcarbamate
CID 54267520
1,3-diamino-1-(4-bromophenyl)-3-(1-phenylethyl)urea
CID 146417690
2-hydroxy-1-N-phenylpropanedihydrazide
CID 54413641
(2S)-2-(N-(4-bromophenyl)anilino)propanoic acid
CID 142700956
1,1-diphenylurea
CID 174849888
(2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide
CID 144544309

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide?
The IUPAC name of (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide (CID 54705555) is (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide.
What is the SMILES notation for (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide?
The canonical SMILES for (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide is C/C(O)=C(\Br)C(=O)N(N)c1ccccc1.
What is the InChIKey of (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide?
The InChIKey is LIHINKFSNHEOTI-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-7(14)9(11)10(15)13(12)8-5-3-2-4-6-8/h2-6,14H,12H2,1H3/b9-7+.
What are the key properties of (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide?
(E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide has a molecular weight of 271.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide is sourced from PubChem (CID 54705555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).