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

C13H16N2O — CID 105290659

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16N2O/c1-2-3-4-12(15-14)10-5-6-13-11(9-10)7-8-16-13/h5-6,9,12,15H,4,7-8,14H2,1H3
InChIKeyNWDVCIZLGQWNDR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.54
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine (PubChem CID 105290659) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine
PubChem CID105290659
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16N2O/c1-2-3-4-12(15-14)10-5-6-13-11(9-10)7-8-16-13/h5-6,9,12,15H,4,7-8,14H2,1H3
InChIKeyNWDVCIZLGQWNDR-UHFFFAOYSA-N
XLogP1.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.54
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)hex-4-ynylhydrazine
CID 105334999
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
CID 115819330
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226954
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037301
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198767
[2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 105227304
[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
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine (CID 105290659) is 1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine is CC#CCC(NN)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine?
The InChIKey is NWDVCIZLGQWNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-4-12(15-14)10-5-6-13-11(9-10)7-8-16-13/h5-6,9,12,15H,4,7-8,14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine?
1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine has a molecular weight of 216.28 g/mol, XLogP of 1.54, 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-5-yl)pent-3-ynylhydrazine is sourced from PubChem (CID 105290659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).