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

C9H9BrN2O — CID 6367007

IUPAC(E)-3-(4-bromophenyl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C9H9BrN2O/c10-8-4-1-7(2-5-8)3-6-9(13)12-11/h1-6H,11H2,(H,12,13)/b6-3+
InChIKeyHPHCJOZQLRXBMC-ZZXKWVIFSA-N
MW241.09 g/mol
LogP1.45
Rot. Bonds2

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

(E)-3-(4-bromophenyl)prop-2-enehydrazide (PubChem CID 6367007) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)prop-2-enehydrazide
PubChem CID6367007
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name(E)-3-(4-bromophenyl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C9H9BrN2O/c10-8-4-1-7(2-5-8)3-6-9(13)12-11/h1-6H,11H2,(H,12,13)/b6-3+
InChIKeyHPHCJOZQLRXBMC-ZZXKWVIFSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-bromophenyl)prop-2-enehydrazide (CID 6367007) is (E)-3-(4-bromophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-bromophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-bromophenyl)prop-2-enehydrazide is NNC(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)prop-2-enehydrazide?
The InChIKey is HPHCJOZQLRXBMC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-8-4-1-7(2-5-8)3-6-9(13)12-11/h1-6H,11H2,(H,12,13)/b6-3+.
What are the key properties of (E)-3-(4-bromophenyl)prop-2-enehydrazide?
(E)-3-(4-bromophenyl)prop-2-enehydrazide has a molecular weight of 241.09 g/mol, XLogP of 1.45, 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)prop-2-enehydrazide is sourced from PubChem (CID 6367007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).