N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide

C11H12N2O4 — CID 4174508

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide
SMILESO=C(CO)NN=Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H12N2O4/c14-7-11(15)13-12-6-8-1-2-9-10(5-8)17-4-3-16-9/h1-2,5-6,14H,3-4,7H2,(H,13,15)
InChIKeyALXUGWKEIZKYCT-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.10
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide (PubChem CID 4174508) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide
PubChem CID4174508
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide
SMILESO=C(CO)NN=Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H12N2O4/c14-7-11(15)13-12-6-8-1-2-9-10(5-8)17-4-3-16-9/h1-2,5-6,14H,3-4,7H2,(H,13,15)
InChIKeyALXUGWKEIZKYCT-UHFFFAOYSA-N
XLogP-0.10
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide
CID 3401753
N,N'-bis[(E)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethylideneamino]butanediamide
CID 14149968
N,N'-bis[(E)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethylideneamino]hexanediamide
CID 14149970
2-anilino-N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
CID 6904248
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
CID 146022648
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6266560
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2306297
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910954
4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2643480
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 135435759

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide (CID 4174508) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide is O=C(CO)NN=Cc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide?
The InChIKey is ALXUGWKEIZKYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-7-11(15)13-12-6-8-1-2-9-10(5-8)17-4-3-16-9/h1-2,5-6,14H,3-4,7H2,(H,13,15).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide has a molecular weight of 236.23 g/mol, XLogP of -0.10, 3 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-6-ylmethylideneamino)-2-hydroxyacetamide is sourced from PubChem (CID 4174508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).