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

C13H16N2O — CID 105307835

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc2c(c1)COC2
InChIInChI=1S/C13H16N2O/c1-2-3-4-13(15-14)10-5-6-11-8-16-9-12(11)7-10/h1,5-7,13,15H,3-4,8-9,14H2
InChIKeyGFKXREMUOUMLOQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.63
Rot. Bonds4

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

1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine (PubChem CID 105307835) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine
PubChem CID105307835
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc2c(c1)COC2
InChIInChI=1S/C13H16N2O/c1-2-3-4-13(15-14)10-5-6-11-8-16-9-12(11)7-10/h1,5-7,13,15H,3-4,8-9,14H2
InChIKeyGFKXREMUOUMLOQ-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.63
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-(1,3-dihydro-2-benzofuran-5-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-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
[2-(2,3-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine
CID 105297931
1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine
CID 105258378
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316122
1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037474
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105318959
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine
CID 105333997
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
[1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methyl]hydrazine
CID 105308643

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine (CID 105307835) is 1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine is C#CCCC(NN)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine?
The InChIKey is GFKXREMUOUMLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-4-13(15-14)10-5-6-11-8-16-9-12(11)7-10/h1,5-7,13,15H,3-4,8-9,14H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine?
1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine has a molecular weight of 216.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)pent-4-ynylhydrazine is sourced from PubChem (CID 105307835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).