(2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide

C9H10N2O3 — CID 6411017

IUPAC(2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)/C=N/O)cc1
InChIInChI=1S/C9H10N2O3/c1-14-8-4-2-7(3-5-8)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+
InChIKeyMDEHFNBKDPLEEJ-UXBLZVDNSA-N
MW194.19 g/mol
LogP1.09
Rot. Bonds3

About (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide

(2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide (PubChem CID 6411017) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide
PubChem CID6411017
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)/C=N/O)cc1
InChIInChI=1S/C9H10N2O3/c1-14-8-4-2-7(3-5-8)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+
InChIKeyMDEHFNBKDPLEEJ-UXBLZVDNSA-N
XLogP1.09
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide (CID 6411017) is (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)/C=N/O)cc1.
What is the InChIKey of (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide?
The InChIKey is MDEHFNBKDPLEEJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8-4-2-7(3-5-8)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+.
What are the key properties of (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide?
(2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide has a molecular weight of 194.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 6411017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).