1-(3,5-dibromophenyl)but-3-enylhydrazine

C10H12Br2N2 — CID 107978932

IUPAC1-(3,5-dibromophenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H12Br2N2/c1-2-3-10(14-13)7-4-8(11)6-9(12)5-7/h2,4-6,10,14H,1,3,13H2
InChIKeyPJTATNUOJHMBOR-UHFFFAOYSA-N
MW320.03 g/mol
LogP3.29
Rot. Bonds4

About 1-(3,5-dibromophenyl)but-3-enylhydrazine

1-(3,5-dibromophenyl)but-3-enylhydrazine (PubChem CID 107978932) has the molecular formula C10H12Br2N2 and a molecular weight of 320.03 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)but-3-enylhydrazine
PubChem CID107978932
Molecular FormulaC10H12Br2N2
Molecular Weight320.03 g/mol
Exact Mass317.94
IUPAC Name1-(3,5-dibromophenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H12Br2N2/c1-2-3-10(14-13)7-4-8(11)6-9(12)5-7/h2,4-6,10,14H,1,3,13H2
InChIKeyPJTATNUOJHMBOR-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.03
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)but-3-enylhydrazine
CID 105207895
1-(3,5-dibromophenyl)-N-propylbut-3-en-1-amine
CID 107973949
1-(3,5-dibromophenyl)but-3-en-1-amine
CID 103693293
1-phenylbut-3-enylhydrazine
CID 105199312
1-(3-bromo-5-chlorophenyl)pent-4-enylhydrazine
CID 107948273
[2-cyclobutyl-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979147
1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine
CID 105289666
1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine
CID 105289620
1-(3,5-dibromophenyl)pentylhydrazine
CID 107978974
[1-(3,5-dibromophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 107979282
1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine
CID 105218181
1-(2-chloro-4-pyridinyl)but-3-enylhydrazine
CID 105252780

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)but-3-enylhydrazine?
The IUPAC name of 1-(3,5-dibromophenyl)but-3-enylhydrazine (CID 107978932) is 1-(3,5-dibromophenyl)but-3-enylhydrazine.
What is the SMILES notation for 1-(3,5-dibromophenyl)but-3-enylhydrazine?
The canonical SMILES for 1-(3,5-dibromophenyl)but-3-enylhydrazine is C=CCC(NN)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)but-3-enylhydrazine?
The InChIKey is PJTATNUOJHMBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2/c1-2-3-10(14-13)7-4-8(11)6-9(12)5-7/h2,4-6,10,14H,1,3,13H2.
What are the key properties of 1-(3,5-dibromophenyl)but-3-enylhydrazine?
1-(3,5-dibromophenyl)but-3-enylhydrazine has a molecular weight of 320.03 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)but-3-enylhydrazine is sourced from PubChem (CID 107978932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).