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

C10H10N2O4 — CID 175477457

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
SMILESO=C(C=NO)Nc1cccc2c1OCCO2
InChIInChI=1S/C10H10N2O4/c13-9(6-11-14)12-7-2-1-3-8-10(7)16-5-4-15-8/h1-3,6,14H,4-5H2,(H,12,13)
InChIKeyOMOZFBALAHSJDG-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.86
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide (PubChem CID 175477457) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
PubChem CID175477457
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
SMILESO=C(C=NO)Nc1cccc2c1OCCO2
InChIInChI=1S/C10H10N2O4/c13-9(6-11-14)12-7-2-1-3-8-10(7)16-5-4-15-8/h1-3,6,14H,4-5H2,(H,12,13)
InChIKeyOMOZFBALAHSJDG-UHFFFAOYSA-N
XLogP0.86
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide 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

(2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide
CID 166889788
(2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide
CID 117065761
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
CID 15033690
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062073
N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119298931
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
cis-(1R,3S)-3-(2,3-dihydro-1,4-benzodioxin-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066114
2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 56816667
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-5-phenylthiophene-2-carboxamide
CID 167961336
(1R,2S,3R,4R)-3-(2,3-dihydro-1,4-benzodioxin-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98463451
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride
CID 21228924

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide (CID 175477457) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide is O=C(C=NO)Nc1cccc2c1OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide?
The InChIKey is OMOZFBALAHSJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-9(6-11-14)12-7-2-1-3-8-10(7)16-5-4-15-8/h1-3,6,14H,4-5H2,(H,12,13).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide has a molecular weight of 222.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 175477457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).