2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile

C10H8N2O2 — CID 173016400

IUPAC2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile
SMILESN#CCO/N=C(\C=O)c1ccccc1
InChIInChI=1S/C10H8N2O2/c11-6-7-14-12-10(8-13)9-4-2-1-3-5-9/h1-5,8H,7H2/b12-10+
InChIKeyZWUYHQMVCGJNSS-ZRDIBKRKSA-N
MW188.19 g/mol
LogP1.13
Rot. Bonds4

About 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile

2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile (PubChem CID 173016400) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile.

Molecular Properties

Compound Name2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile
PubChem CID173016400
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile
SMILESN#CCO/N=C(\C=O)c1ccccc1
InChIInChI=1S/C10H8N2O2/c11-6-7-14-12-10(8-13)9-4-2-1-3-5-9/h1-5,8H,7H2/b12-10+
InChIKeyZWUYHQMVCGJNSS-ZRDIBKRKSA-N
XLogP1.13
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-oxo-1-phenylethylidene)amino]oxyacetonitrile
CID 91402922
(2-cyanoacetyl) benzoate
CID 91061587
2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 57440114
2-[(E)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 11849229
2-[[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 73125422
CID 88763605
CID 88763605
(E)-1-phenyl-N-prop-2-ynoxyethanimine
CID 6113693
cyanomethyl 2-(4-benzoylphenoxy)acetate
CID 2596653
[(E)-3-cyano-2-phenylprop-1-enyl]-trimethylazanium iodide
CID 14174215
2,4,4-triphenylbuta-2,3-dienal
CID 11982143
cyanomethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7214927
2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid
CID 107936789

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile?
The IUPAC name of 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile (CID 173016400) is 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile.
What is the SMILES notation for 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile?
The canonical SMILES for 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile is N#CCO/N=C(\C=O)c1ccccc1.
What is the InChIKey of 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile?
The InChIKey is ZWUYHQMVCGJNSS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-6-7-14-12-10(8-13)9-4-2-1-3-5-9/h1-5,8H,7H2/b12-10+.
What are the key properties of 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile?
2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile has a molecular weight of 188.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-oxo-1-phenylethylidene)amino]oxyacetonitrile is sourced from PubChem (CID 173016400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).