(2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide

C9H8N2O4 — CID 166889788

IUPAC(2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide
SMILESO=C(/C=N/O)Nc1cccc2c1OCO2
InChIInChI=1S/C9H8N2O4/c12-8(4-10-13)11-6-2-1-3-7-9(6)15-5-14-7/h1-4,13H,5H2,(H,11,12)/b10-4+
InChIKeyWJZQLYZAIGSJDW-ONNFQVAWSA-N
MW208.17 g/mol
LogP0.81
Rot. Bonds2

About (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide

(2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide (PubChem CID 166889788) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide
PubChem CID166889788
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name(2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide
SMILESO=C(/C=N/O)Nc1cccc2c1OCO2
InChIInChI=1S/C9H8N2O4/c12-8(4-10-13)11-6-2-1-3-7-9(6)15-5-14-7/h1-4,13H,5H2,(H,11,12)/b10-4+
InChIKeyWJZQLYZAIGSJDW-ONNFQVAWSA-N
XLogP0.81
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.81
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'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
CID 175477457
(2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide
CID 117065761
3-(1,3-benzodioxol-4-ylcarbamoylamino)propanoic acid
CID 122089295
2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine
CID 87397533
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
N-methyl-1,3-benzodioxol-4-amine
CID 55252977
(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
N-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide
CID 794212
N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide
CID 169484213
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
CID 15033690
N-(1,3-benzodioxol-4-yl)-8-chloroisoquinoline-4-carboxamide
CID 166360312
(2R)-N-(1,3-benzodioxol-4-yl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 172896047

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide (CID 166889788) is (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide is O=C(/C=N/O)Nc1cccc2c1OCO2.
What is the InChIKey of (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide?
The InChIKey is WJZQLYZAIGSJDW-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-8(4-10-13)11-6-2-1-3-7-9(6)15-5-14-7/h1-4,13H,5H2,(H,11,12)/b10-4+.
What are the key properties of (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide?
(2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide has a molecular weight of 208.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 166889788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).