[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine

C13H18N2O3 — CID 105229478

IUPAC[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCO2)C1CCOC1
InChIInChI=1S/C13H18N2O3/c14-15-13(10-3-4-16-8-10)9-1-2-11-12(7-9)18-6-5-17-11/h1-2,7,10,13,15H,3-6,8,14H2
InChIKeyMCTJYBNZFRRYMR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.00
Rot. Bonds3

About [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine

[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine (PubChem CID 105229478) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine
PubChem CID105229478
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCO2)C1CCOC1
InChIInChI=1S/C13H18N2O3/c14-15-13(10-3-4-16-8-10)9-1-2-11-12(7-9)18-6-5-17-11/h1-2,7,10,13,15H,3-6,8,14H2
InChIKeyMCTJYBNZFRRYMR-UHFFFAOYSA-N
XLogP1.00
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105204466
[2,3-dihydro-1,4-benzodioxin-6-yl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312385
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266193
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethylcyclohexyl)methyl]hydrazine
CID 105232982
[(4-tert-butylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229515
[2,3-dihydro-1,4-benzodioxin-6-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105301064
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105301069
[(3,4-diethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229485
6-[bromo(oxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 62906750
[2,3-dihydro-1,4-benzodioxin-6-yl-(2,2-dimethylcyclopentyl)methyl]hydrazine
CID 107193749
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine
CID 107193810
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine (CID 105229478) is [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine is NNC(c1ccc2c(c1)OCCO2)C1CCOC1.
What is the InChIKey of [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine?
The InChIKey is MCTJYBNZFRRYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-15-13(10-3-4-16-8-10)9-1-2-11-12(7-9)18-6-5-17-11/h1-2,7,10,13,15H,3-6,8,14H2.
What are the key properties of [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine?
[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine has a molecular weight of 250.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105229478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).