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

C10H10N2O3 — CID 117065761

IUPAC(2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide
SMILESO=C(/C=N/O)Nc1cccc2c1CCO2
InChIInChI=1S/C10H10N2O3/c13-10(6-11-14)12-8-2-1-3-9-7(8)4-5-15-9/h1-3,6,14H,4-5H2,(H,12,13)/b11-6+
InChIKeyOQBZUVNZQGZHSP-IZZDOVSWSA-N
MW206.20 g/mol
LogP1.02
Rot. Bonds2

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

(2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide (PubChem CID 117065761) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide
PubChem CID117065761
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide
SMILESO=C(/C=N/O)Nc1cccc2c1CCO2
InChIInChI=1S/C10H10N2O3/c13-10(6-11-14)12-8-2-1-3-9-7(8)4-5-15-9/h1-3,6,14H,4-5H2,(H,12,13)/b11-6+
InChIKeyOQBZUVNZQGZHSP-IZZDOVSWSA-N
XLogP1.02
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide
CID 166889788
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
CID 87601247
1-(2,3-dihydro-1-benzofuran-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 11209886
N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide
CID 126834719
methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
N-(2,3-dihydro-1-benzofuran-4-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146432138
methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate
CID 6904179
1-[(1R)-1-(2-bromo-4-methoxyphenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-4-yl)urea
CID 166229675
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
CID 15033690
3-[[(2E)-2-hydroxyiminoacetyl]amino]benzoic acid
CID 6869196

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide (CID 117065761) is (2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide is O=C(/C=N/O)Nc1cccc2c1CCO2.
What is the InChIKey of (2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide?
The InChIKey is OQBZUVNZQGZHSP-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-10(6-11-14)12-8-2-1-3-9-7(8)4-5-15-9/h1-3,6,14H,4-5H2,(H,12,13)/b11-6+.
What are the key properties of (2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide?
(2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide has a molecular weight of 206.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 117065761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).