[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine

C13H15BrN2O — CID 105319774

IUPAC[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc2cccc(Br)c2o1
InChIInChI=1S/C13H15BrN2O/c1-8(2)6-11(16-15)12-7-9-4-3-5-10(14)13(9)17-12/h3-7,11,16H,15H2,1-2H3
InChIKeyRWIXITJUDOABCC-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.67
Rot. Bonds3

About [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine

[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine (PubChem CID 105319774) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine
PubChem CID105319774
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc2cccc(Br)c2o1
InChIInChI=1S/C13H15BrN2O/c1-8(2)6-11(16-15)12-7-9-4-3-5-10(14)13(9)17-12/h3-7,11,16H,15H2,1-2H3
InChIKeyRWIXITJUDOABCC-UHFFFAOYSA-N
XLogP3.67
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.67
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'}

Analyze [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105305275
[1-(5-bromofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319933
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol
CID 105108452
[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105284216
[1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 106694554
2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid
CID 82625533
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
[(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 105301983
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
CID 105151800

Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine?
The IUPAC name of [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine (CID 105319774) is [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine.
What is the SMILES notation for [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine?
The canonical SMILES for [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine is CC(C)=CC(NN)c1cc2cccc(Br)c2o1.
What is the InChIKey of [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine?
The InChIKey is RWIXITJUDOABCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8(2)6-11(16-15)12-7-9-4-3-5-10(14)13(9)17-12/h3-7,11,16H,15H2,1-2H3.
What are the key properties of [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine?
[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine has a molecular weight of 295.18 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine is sourced from PubChem (CID 105319774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).