[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine

C13H19BrN2O — CID 106650019

IUPAC[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
SMILESNNC(/C1=C/CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C13H19BrN2O/c14-12-9-8-11(17-12)13(16-15)10-6-4-2-1-3-5-7-10/h6,8-9,13,16H,1-5,7,15H2/b10-6+
InChIKeyIWLWYMZSZCCDMB-UXBLZVDNSA-N
MW299.21 g/mol
LogP3.83
Rot. Bonds3

About [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine

[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine (PubChem CID 106650019) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
PubChem CID106650019
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
SMILESNNC(/C1=C/CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C13H19BrN2O/c14-12-9-8-11(17-12)13(16-15)10-6-4-2-1-3-5-7-10/h6,8-9,13,16H,1-5,7,15H2/b10-6+
InChIKeyIWLWYMZSZCCDMB-UXBLZVDNSA-N
XLogP3.83
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.83
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-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106648877
[(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649312
[1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine
CID 106649457
[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine
CID 106648587
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106694850
[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106650182
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[cyclohepten-1-yl(naphthalen-2-yl)methyl]hydrazine
CID 106648805
[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649679
[cyclohepten-1-yl-(2-ethylphenyl)methyl]hydrazine
CID 106650270

Frequently Asked Questions

What is the IUPAC name of [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine?
The IUPAC name of [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine (CID 106650019) is [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine.
What is the SMILES notation for [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine?
The canonical SMILES for [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine is NNC(/C1=C/CCCCCC1)c1ccc(Br)o1.
What is the InChIKey of [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine?
The InChIKey is IWLWYMZSZCCDMB-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-12-9-8-11(17-12)13(16-15)10-6-4-2-1-3-5-7-10/h6,8-9,13,16H,1-5,7,15H2/b10-6+.
What are the key properties of [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine?
[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine has a molecular weight of 299.21 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine is sourced from PubChem (CID 106650019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).