2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide

C10H12N2O2 — CID 83676356

IUPAC2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc2c1OCCO2
InChIInChI=1S/C10H12N2O2/c11-9(12)6-7-2-1-3-8-10(7)14-5-4-13-8/h1-3H,4-6H2,(H3,11,12)
InChIKeyHMZZEAXLLFHPHW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.94
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide

2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide (PubChem CID 83676356) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide
PubChem CID83676356
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc2c1OCCO2
InChIInChI=1S/C10H12N2O2/c11-9(12)6-7-2-1-3-8-10(7)14-5-4-13-8/h1-3H,4-6H2,(H3,11,12)
InChIKeyHMZZEAXLLFHPHW-UHFFFAOYSA-N
XLogP0.94
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide (CID 83676356) is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide is [H]/N=C(\N)Cc1cccc2c1OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide?
The InChIKey is HMZZEAXLLFHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9(12)6-7-2-1-3-8-10(7)14-5-4-13-8/h1-3H,4-6H2,(H3,11,12).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide?
2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide has a molecular weight of 192.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide is sourced from PubChem (CID 83676356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).