N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide

C9H10N2O3 — CID 645715

IUPACN'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
SMILESNC(=NO)C1COc2ccccc2O1
InChIInChI=1S/C9H10N2O3/c10-9(11-12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8,12H,5H2,(H2,10,11)
InChIKeyAINNARSDQRBELY-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.57
Rot. Bonds1

About N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide

N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide (PubChem CID 645715) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
PubChem CID645715
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
SMILESNC(=NO)C1COc2ccccc2O1
InChIInChI=1S/C9H10N2O3/c10-9(11-12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8,12H,5H2,(H2,10,11)
InChIKeyAINNARSDQRBELY-UHFFFAOYSA-N
XLogP0.57
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide (CID 645715) is N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide is NC(=NO)C1COc2ccccc2O1.
What is the InChIKey of N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
The InChIKey is AINNARSDQRBELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-9(11-12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8,12H,5H2,(H2,10,11).
What are the key properties of N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide has a molecular weight of 194.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide is sourced from PubChem (CID 645715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).