1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine

C14H18N2O — CID 105334999

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N2O/c1-2-3-4-5-13(16-15)11-6-7-14-12(10-11)8-9-17-14/h6-7,10,13,16H,4-5,8-9,15H2,1H3
InChIKeyACRLJBIKEUZJPX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.93
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine

1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine (PubChem CID 105334999) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
PubChem CID105334999
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N2O/c1-2-3-4-5-13(16-15)11-6-7-14-12(10-11)8-9-17-14/h6-7,10,13,16H,4-5,8-9,15H2,1H3
InChIKeyACRLJBIKEUZJPX-UHFFFAOYSA-N
XLogP1.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.93
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-5-yl)pent-3-ynylhydrazine
CID 105290659
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037301
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
CID 115819330
[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328955
1-(2,3-dihydro-1-benzofuran-5-yl)hex-5-enylhydrazine
CID 105311312
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226954
[3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 103151844
[2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 105227304
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198767
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
CID 105334896

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine (CID 105334999) is 1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine is CC#CCCC(NN)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine?
The InChIKey is ACRLJBIKEUZJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-4-5-13(16-15)11-6-7-14-12(10-11)8-9-17-14/h6-7,10,13,16H,4-5,8-9,15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine?
1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine has a molecular weight of 230.31 g/mol, XLogP of 1.93, 4 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-5-yl)hex-4-ynylhydrazine is sourced from PubChem (CID 105334999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).