[1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine

C13H16N2O — CID 105262533

IUPAC[1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1coc2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(2)7-12(15-14)11-8-16-13-6-4-3-5-10(11)13/h3-6,8,12,15H,1,7,14H2,2H3
InChIKeySSGCJCDDPDBDHO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.90
Rot. Bonds4

About [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine

[1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine (PubChem CID 105262533) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine
PubChem CID105262533
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1coc2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(2)7-12(15-14)11-8-16-13-6-4-3-5-10(11)13/h3-6,8,12,15H,1,7,14H2,2H3
InChIKeySSGCJCDDPDBDHO-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319578
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
[1-(1-benzofuran-3-yl)-2-cyclobutylethyl]hydrazine
CID 105262478
[1-(1-benzofuran-3-yl)-2-cyclopentylethyl]hydrazine
CID 105262388
4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622
[1-(1-benzofuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105262527
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668
[1-(furan-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105221417
[1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine
CID 105319639
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
[1-(1-benzofuran-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethyl]hydrazine
CID 105262571
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine?
The IUPAC name of [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine (CID 105262533) is [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine.
What is the SMILES notation for [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine?
The canonical SMILES for [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine is C=C(C)CC(NN)c1coc2ccccc12.
What is the InChIKey of [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine?
The InChIKey is SSGCJCDDPDBDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)7-12(15-14)11-8-16-13-6-4-3-5-10(11)13/h3-6,8,12,15H,1,7,14H2,2H3.
What are the key properties of [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine?
[1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine has a molecular weight of 216.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine is sourced from PubChem (CID 105262533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).