1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine

C13H18N2O2 — CID 105230212

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
SMILESC=CCCC(NN)C1COc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-2-3-6-10(15-14)13-9-16-11-7-4-5-8-12(11)17-13/h2,4-5,7-8,10,13,15H,1,3,6,9,14H2
InChIKeyIMNNRQSLUNAKJA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.62
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine

1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine (PubChem CID 105230212) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
PubChem CID105230212
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
SMILESC=CCCC(NN)C1COc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-2-3-6-10(15-14)13-9-16-11-7-4-5-8-12(11)17-13/h2,4-5,7-8,10,13,15H,1,3,6,9,14H2
InChIKeyIMNNRQSLUNAKJA-UHFFFAOYSA-N
XLogP1.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine 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-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
CID 105230151
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(furan-3-yl)ethyl]hydrazine
CID 105230199
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
1-(2,3-dihydro-1,4-benzodioxin-3-yl)but-3-en-1-ol
CID 65350923
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105230188
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
CID 105230271
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
CID 107895095
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 71633036
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
CID 105230267
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105230174
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine
CID 65352196
[cyclohexyl(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230206

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine (CID 105230212) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine is C=CCCC(NN)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine?
The InChIKey is IMNNRQSLUNAKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-3-6-10(15-14)13-9-16-11-7-4-5-8-12(11)17-13/h2,4-5,7-8,10,13,15H,1,3,6,9,14H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine has a molecular weight of 234.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine is sourced from PubChem (CID 105230212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).