1-(5-bromofuran-2-yl)pent-4-ynylhydrazine

C9H11BrN2O — CID 105307991

IUPAC1-(5-bromofuran-2-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(Br)o1
InChIInChI=1S/C9H11BrN2O/c1-2-3-4-7(12-11)8-5-6-9(10)13-8/h1,5-7,12H,3-4,11H2
InChIKeyMSDBYJIPTSHPKV-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.96
Rot. Bonds4

About 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine

1-(5-bromofuran-2-yl)pent-4-ynylhydrazine (PubChem CID 105307991) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)pent-4-ynylhydrazine
PubChem CID105307991
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name1-(5-bromofuran-2-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(Br)o1
InChIInChI=1S/C9H11BrN2O/c1-2-3-4-7(12-11)8-5-6-9(10)13-8/h1,5-7,12H,3-4,11H2
InChIKeyMSDBYJIPTSHPKV-UHFFFAOYSA-N
XLogP1.96
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine 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-(5-bromofuran-2-yl)-5-methylhexyl]hydrazine
CID 105331405
1-(5-bromofuran-2-yl)hexylhydrazine
CID 105294743
N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023
1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
CID 105307933
1-(2,4-dibromophenyl)pent-4-ynylhydrazine
CID 107948243
[1-(5-bromofuran-2-yl)-2-cyclohexylethyl]hydrazine
CID 105296283
[1-(5-bromofuran-2-yl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105287279
1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine
CID 105307830
[1-(5-bromofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296487
[1-(5-bromofuran-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105334847
[1-(5-bromofuran-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295409
1-(2,5-dibromophenyl)hex-5-ynylhydrazine
CID 105333449

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine?
The IUPAC name of 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine (CID 105307991) is 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine is C#CCCC(NN)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine?
The InChIKey is MSDBYJIPTSHPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-2-3-4-7(12-11)8-5-6-9(10)13-8/h1,5-7,12H,3-4,11H2.
What are the key properties of 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine?
1-(5-bromofuran-2-yl)pent-4-ynylhydrazine has a molecular weight of 243.10 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)pent-4-ynylhydrazine is sourced from PubChem (CID 105307991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).