N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide

C10H12N2O3 — CID 82492461

IUPACN'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide
SMILESCc1cc2c(cc1/C(N)=N/O)OCCO2
InChIInChI=1S/C10H12N2O3/c1-6-4-8-9(15-3-2-14-8)5-7(6)10(11)12-13/h4-5,13H,2-3H2,1H3,(H2,11,12)
InChIKeyWHVZPNCUPYZQOU-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.86
Rot. Bonds1

About N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide

N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide (PubChem CID 82492461) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide
PubChem CID82492461
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide
SMILESCc1cc2c(cc1/C(N)=N/O)OCCO2
InChIInChI=1S/C10H12N2O3/c1-6-4-8-9(15-3-2-14-8)5-7(6)10(11)12-13/h4-5,13H,2-3H2,1H3,(H2,11,12)
InChIKeyWHVZPNCUPYZQOU-UHFFFAOYSA-N
XLogP0.86
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.86
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 N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide?
The IUPAC name of N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide (CID 82492461) is N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide.
What is the SMILES notation for N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide?
The canonical SMILES for N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide is Cc1cc2c(cc1/C(N)=N/O)OCCO2.
What is the InChIKey of N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide?
The InChIKey is WHVZPNCUPYZQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-4-8-9(15-3-2-14-8)5-7(6)10(11)12-13/h4-5,13H,2-3H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide?
N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide has a molecular weight of 208.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide is sourced from PubChem (CID 82492461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).