1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine

C13H17BrN2O — CID 105269841

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1cc(Br)cc2c1OCC2)NN
InChIInChI=1S/C13H17BrN2O/c1-2-3-12(16-15)8-10-7-11(14)6-9-4-5-17-13(9)10/h2,6-7,12,16H,1,3-5,8,15H2
InChIKeyFNEHYKVWXGPDGJ-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.33
Rot. Bonds5

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine (PubChem CID 105269841) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine
PubChem CID105269841
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1cc(Br)cc2c1OCC2)NN
InChIInChI=1S/C13H17BrN2O/c1-2-3-12(16-15)8-10-7-11(14)6-9-4-5-17-13(9)10/h2,6-7,12,16H,1,3-5,8,15H2
InChIKeyFNEHYKVWXGPDGJ-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine
CID 116660829
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105332536
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105332479
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204527
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178479
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cyclohexylpropan-2-amine
CID 105031611
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272266
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105178541
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105332489
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269234

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine (CID 105269841) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine is C=CCC(Cc1cc(Br)cc2c1OCC2)NN.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine?
The InChIKey is FNEHYKVWXGPDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-2-3-12(16-15)8-10-7-11(14)6-9-4-5-17-13(9)10/h2,6-7,12,16H,1,3-5,8,15H2.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine has a molecular weight of 297.20 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine is sourced from PubChem (CID 105269841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).