(2Z)-2-hydroxyimino-2-phenylacetonitrile

C8H6N2O — CID 5464219

IUPAC(2Z)-2-hydroxyimino-2-phenylacetonitrile
SMILESN#C/C(=N\O)c1ccccc1
InChIInChI=1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H/b10-8+
InChIKeyMJCQFBKIFDVTTR-CSKARUKUSA-N
MW146.15 g/mol
LogP1.39
Rot. Bonds1

About (2Z)-2-hydroxyimino-2-phenylacetonitrile

(2Z)-2-hydroxyimino-2-phenylacetonitrile (PubChem CID 5464219) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-2-phenylacetonitrile.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-2-phenylacetonitrile
PubChem CID5464219
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name(2Z)-2-hydroxyimino-2-phenylacetonitrile
SMILESN#C/C(=N\O)c1ccccc1
InChIInChI=1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H/b10-8+
InChIKeyMJCQFBKIFDVTTR-CSKARUKUSA-N
XLogP1.39
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2Z)-2-hydroxyimino-2-phenylacetonitrile?
The IUPAC name of (2Z)-2-hydroxyimino-2-phenylacetonitrile (CID 5464219) is (2Z)-2-hydroxyimino-2-phenylacetonitrile.
What is the SMILES notation for (2Z)-2-hydroxyimino-2-phenylacetonitrile?
The canonical SMILES for (2Z)-2-hydroxyimino-2-phenylacetonitrile is N#C/C(=N\O)c1ccccc1.
What is the InChIKey of (2Z)-2-hydroxyimino-2-phenylacetonitrile?
The InChIKey is MJCQFBKIFDVTTR-CSKARUKUSA-N. The full InChI is InChI=1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H/b10-8+.
What are the key properties of (2Z)-2-hydroxyimino-2-phenylacetonitrile?
(2Z)-2-hydroxyimino-2-phenylacetonitrile has a molecular weight of 146.15 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-2-phenylacetonitrile is sourced from PubChem (CID 5464219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).