1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine

C14H18N2O — CID 105262710

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1COc2ccccc21
InChIInChI=1S/C14H18N2O/c1-2-3-4-8-13(16-15)12-10-17-14-9-6-5-7-11(12)14/h1,5-7,9,12-13,16H,3-4,8,10,15H2
InChIKeySBFVXHQYFOZWCS-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.80
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine

1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine (PubChem CID 105262710) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine
PubChem CID105262710
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1COc2ccccc21
InChIInChI=1S/C14H18N2O/c1-2-3-4-8-13(16-15)12-10-17-14-9-6-5-7-11(12)14/h1,5-7,9,12-13,16H,3-4,8,10,15H2
InChIKeySBFVXHQYFOZWCS-UHFFFAOYSA-N
XLogP1.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105262588
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine
CID 105224756
[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190772
[1-(2,3-dihydro-1-benzofuran-3-yl)-3-methylhexyl]hydrazine
CID 105262689
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262764
1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine
CID 105333523
[2-(3,5-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105412991
1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine
CID 105233759
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 102868102
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine
CID 105233846
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbutyl]hydrazine
CID 105262585
[2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262757

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine (CID 105262710) is 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine is C#CCCCC(NN)C1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine?
The InChIKey is SBFVXHQYFOZWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-4-8-13(16-15)12-10-17-14-9-6-5-7-11(12)14/h1,5-7,9,12-13,16H,3-4,8,10,15H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine?
1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine has a molecular weight of 230.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine is sourced from PubChem (CID 105262710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).