(2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile

C8H10N2O — CID 19704450

IUPAC(2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile
SMILESN#C/C(=N\O)C1=CCCCC1
InChIInChI=1S/C8H10N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h4,11H,1-3,5H2/b10-8+
InChIKeyMPXXSVVCZYFOEJ-CSKARUKUSA-N
MW150.18 g/mol
LogP1.84
Rot. Bonds1

About (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile

(2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile (PubChem CID 19704450) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile.

Molecular Properties

Compound Name(2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile
PubChem CID19704450
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile
SMILESN#C/C(=N\O)C1=CCCCC1
InChIInChI=1S/C8H10N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h4,11H,1-3,5H2/b10-8+
InChIKeyMPXXSVVCZYFOEJ-CSKARUKUSA-N
XLogP1.84
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.84
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'}

Analyze (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile?
The IUPAC name of (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile (CID 19704450) is (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile.
What is the SMILES notation for (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile?
The canonical SMILES for (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile is N#C/C(=N\O)C1=CCCCC1.
What is the InChIKey of (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile?
The InChIKey is MPXXSVVCZYFOEJ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h4,11H,1-3,5H2/b10-8+.
What are the key properties of (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile?
(2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile has a molecular weight of 150.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclohexen-1-yl)-2-hydroxyiminoacetonitrile is sourced from PubChem (CID 19704450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).