[(6E)-6-hydroxyiminocyclohexen-1-yl] acetate

C8H11NO3 — CID 146036071

IUPAC[(6E)-6-hydroxyiminocyclohexen-1-yl] acetate
SMILESCC(=O)OC1=CCCC/C1=N\O
InChIInChI=1S/C8H11NO3/c1-6(10)12-8-5-3-2-4-7(8)9-11/h5,11H,2-4H2,1H3/b9-7+
InChIKeyLIZJSZLBNVDLRX-VQHVLOKHSA-N
MW169.18 g/mol
LogP1.45
Rot. Bonds1

About [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate

[(6E)-6-hydroxyiminocyclohexen-1-yl] acetate (PubChem CID 146036071) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate.

Molecular Properties

Compound Name[(6E)-6-hydroxyiminocyclohexen-1-yl] acetate
PubChem CID146036071
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name[(6E)-6-hydroxyiminocyclohexen-1-yl] acetate
SMILESCC(=O)OC1=CCCC/C1=N\O
InChIInChI=1S/C8H11NO3/c1-6(10)12-8-5-3-2-4-7(8)9-11/h5,11H,2-4H2,1H3/b9-7+
InChIKeyLIZJSZLBNVDLRX-VQHVLOKHSA-N
XLogP1.45
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
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 [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate?
The IUPAC name of [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate (CID 146036071) is [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate.
What is the SMILES notation for [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate?
The canonical SMILES for [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate is CC(=O)OC1=CCCC/C1=N\O.
What is the InChIKey of [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate?
The InChIKey is LIZJSZLBNVDLRX-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)12-8-5-3-2-4-7(8)9-11/h5,11H,2-4H2,1H3/b9-7+.
What are the key properties of [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate?
[(6E)-6-hydroxyiminocyclohexen-1-yl] acetate has a molecular weight of 169.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-6-hydroxyiminocyclohexen-1-yl] acetate is sourced from PubChem (CID 146036071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).