[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine

C16H22N2O — CID 114190772

IUPAC[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine
SMILESCC(C)(C)C#CCC(NN)C1COc2ccccc21
InChIInChI=1S/C16H22N2O/c1-16(2,3)10-6-8-14(18-17)13-11-19-15-9-5-4-7-12(13)15/h4-5,7,9,13-14,18H,8,11,17H2,1-3H3
InChIKeyVNYCBEMBLXRVRZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.43
Rot. Bonds3

About [1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine

[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine (PubChem CID 114190772) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine
PubChem CID114190772
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine
SMILESCC(C)(C)C#CCC(NN)C1COc2ccccc21
InChIInChI=1S/C16H22N2O/c1-16(2,3)10-6-8-14(18-17)13-11-19-15-9-5-4-7-12(13)15/h4-5,7,9,13-14,18H,8,11,17H2,1-3H3
InChIKeyVNYCBEMBLXRVRZ-UHFFFAOYSA-N
XLogP2.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.43
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'}

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105262588
1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine
CID 105262710
[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-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbutyl]hydrazine
CID 105262585
[1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190759
[2-(3,5-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105412991
[2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262757
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 102868102
[2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262591
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105262756
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105262730

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine (CID 114190772) is [1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine is CC(C)(C)C#CCC(NN)C1COc2ccccc21.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine?
The InChIKey is VNYCBEMBLXRVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,3)10-6-8-14(18-17)13-11-19-15-9-5-4-7-12(13)15/h4-5,7,9,13-14,18H,8,11,17H2,1-3H3.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine?
[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine has a molecular weight of 258.37 g/mol, XLogP of 2.43, 3 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)-5,5-dimethylhex-3-ynyl]hydrazine is sourced from PubChem (CID 114190772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).