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

C9H10N2O3 — CID 7210185

IUPAC(3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
SMILESNC(=NO)[C@H]1COc2ccccc2O1
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)/t8-/m1/s1
InChIKeyAINNARSDQRBELY-MRVPVSSYSA-N
MW194.19 g/mol
LogP0.57
Rot. Bonds1

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

(3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide (PubChem CID 7210185) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide.

Molecular Properties

Compound Name(3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
PubChem CID7210185
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
SMILESNC(=NO)[C@H]1COc2ccccc2O1
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)/t8-/m1/s1
InChIKeyAINNARSDQRBELY-MRVPVSSYSA-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'}

Analyze (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide 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

(3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
CID 7203782
N'-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
CID 65352140
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
N'-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboximidamide;hydrate;hydrochloride
CID 24834938
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 76929190
N'-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboximidamide;dihydrochloride
CID 3076218
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
3-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxypropyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7503554
N'-(2-piperidin-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide;hydrochloride
CID 3076222
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
[2-(carbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 4830645

Frequently Asked Questions

What is the IUPAC name of (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
The IUPAC name of (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide (CID 7210185) is (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide.
What is the SMILES notation for (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
The canonical SMILES for (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide is NC(=NO)[C@H]1COc2ccccc2O1.
What is the InChIKey of (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
The InChIKey is AINNARSDQRBELY-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide?
(3S)-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 (3S)-N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide is sourced from PubChem (CID 7210185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).