1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine

C13H16N2O — CID 105269594

IUPAC1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1cc2cc(C)ccc2o1
InChIInChI=1S/C13H16N2O/c1-3-4-11(15-14)13-8-10-7-9(2)5-6-12(10)16-13/h3,5-8,11,15H,1,4,14H2,2H3
InChIKeyJAEZQGIBMCLPAN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.82
Rot. Bonds4

About 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine

1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine (PubChem CID 105269594) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine
PubChem CID105269594
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1cc2cc(C)ccc2o1
InChIInChI=1S/C13H16N2O/c1-3-4-11(15-14)13-8-10-7-9(2)5-6-12(10)16-13/h3,5-8,11,15H,1,4,14H2,2H3
InChIKeyJAEZQGIBMCLPAN-UHFFFAOYSA-N
XLogP2.82
TPSA51.19 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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)hex-5-enylhydrazine
CID 105311268
[3-ethoxy-1-(5-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338315
[2-ethoxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235203
[1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208272
[1-(5-methyl-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217797
[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227379
[1-(5-methyl-1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214131
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
[2-(3-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105299502
[1-(5-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316478
1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163947

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine (CID 105269594) is 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine is C=CCC(NN)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine?
The InChIKey is JAEZQGIBMCLPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-4-11(15-14)13-8-10-7-9(2)5-6-12(10)16-13/h3,5-8,11,15H,1,4,14H2,2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine?
1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine has a molecular weight of 216.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine is sourced from PubChem (CID 105269594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).