N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide

C11H9N3O2 — CID 169484213

IUPACN-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide
SMILESN#CC=Cc1ccccc1NC(=O)C=NO
InChIInChI=1S/C11H9N3O2/c12-7-3-5-9-4-1-2-6-10(9)14-11(15)8-13-16/h1-6,8,16H,(H,14,15)
InChIKeyZRWHDQUXTHSAQC-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.62
Rot. Bonds3

About N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide

N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide (PubChem CID 169484213) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide
PubChem CID169484213
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC NameN-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide
SMILESN#CC=Cc1ccccc1NC(=O)C=NO
InChIInChI=1S/C11H9N3O2/c12-7-3-5-9-4-1-2-6-10(9)14-11(15)8-13-16/h1-6,8,16H,(H,14,15)
InChIKeyZRWHDQUXTHSAQC-UHFFFAOYSA-N
XLogP1.62
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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

2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate
CID 169472487
3-(2-anilinophenyl)prop-2-enenitrile
CID 169484284
methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate
CID 6904179
(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
CID 87601247
2-(2-cyanoethenyl)benzamide
CID 131884772
(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide
CID 10611794
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
CID 175477457
(2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide
CID 166889788
(2E)-N-(2,3-dihydro-1-benzofuran-4-yl)-2-hydroxyiminoacetamide
CID 117065761

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide?
The IUPAC name of N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide (CID 169484213) is N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide.
What is the SMILES notation for N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide?
The canonical SMILES for N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide is N#CC=Cc1ccccc1NC(=O)C=NO.
What is the InChIKey of N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide?
The InChIKey is ZRWHDQUXTHSAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-7-3-5-9-4-1-2-6-10(9)14-11(15)8-13-16/h1-6,8,16H,(H,14,15).
What are the key properties of N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide?
N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide has a molecular weight of 215.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 169484213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).