2,3-dihydro-1,4-benzodioxine-3-carboximidamide

C9H10N2O2 — CID 2737433

IUPAC2,3-dihydro-1,4-benzodioxine-3-carboximidamide
SMILES[H]/N=C(\N)C1COc2ccccc2O1
InChIInChI=1S/C9H10N2O2/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H3,10,11)
InChIKeyARTBJOMHJYNLQB-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.76
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxine-3-carboximidamide

2,3-dihydro-1,4-benzodioxine-3-carboximidamide (PubChem CID 2737433) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine-3-carboximidamide.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxine-3-carboximidamide
PubChem CID2737433
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2,3-dihydro-1,4-benzodioxine-3-carboximidamide
SMILES[H]/N=C(\N)C1COc2ccccc2O1
InChIInChI=1S/C9H10N2O2/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H3,10,11)
InChIKeyARTBJOMHJYNLQB-UHFFFAOYSA-N
XLogP0.76
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.76
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 2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
The IUPAC name of 2,3-dihydro-1,4-benzodioxine-3-carboximidamide (CID 2737433) is 2,3-dihydro-1,4-benzodioxine-3-carboximidamide.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxine-3-carboximidamide is [H]/N=C(\N)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
The InChIKey is ARTBJOMHJYNLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H3,10,11).
What are the key properties of 2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
2,3-dihydro-1,4-benzodioxine-3-carboximidamide has a molecular weight of 178.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxine-3-carboximidamide is sourced from PubChem (CID 2737433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).