[(2E)-2-methoxyiminocyclohexyl]methyl acetate

C10H17NO3 — CID 135056821

IUPAC[(2E)-2-methoxyiminocyclohexyl]methyl acetate
SMILESCO/N=C1\CCCCC1COC(C)=O
InChIInChI=1S/C10H17NO3/c1-8(12)14-7-9-5-3-4-6-10(9)11-13-2/h9H,3-7H2,1-2H3/b11-10+
InChIKeyIEDZREQPNDLZBA-ZHACJKMWSA-N
MW199.25 g/mol
LogP1.74
Rot. Bonds3

About [(2E)-2-methoxyiminocyclohexyl]methyl acetate

[(2E)-2-methoxyiminocyclohexyl]methyl acetate (PubChem CID 135056821) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(2E)-2-methoxyiminocyclohexyl]methyl acetate.

Molecular Properties

Compound Name[(2E)-2-methoxyiminocyclohexyl]methyl acetate
PubChem CID135056821
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(2E)-2-methoxyiminocyclohexyl]methyl acetate
SMILESCO/N=C1\CCCCC1COC(C)=O
InChIInChI=1S/C10H17NO3/c1-8(12)14-7-9-5-3-4-6-10(9)11-13-2/h9H,3-7H2,1-2H3/b11-10+
InChIKeyIEDZREQPNDLZBA-ZHACJKMWSA-N
XLogP1.74
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 [(2E)-2-methoxyiminocyclohexyl]methyl acetate?
The IUPAC name of [(2E)-2-methoxyiminocyclohexyl]methyl acetate (CID 135056821) is [(2E)-2-methoxyiminocyclohexyl]methyl acetate.
What is the SMILES notation for [(2E)-2-methoxyiminocyclohexyl]methyl acetate?
The canonical SMILES for [(2E)-2-methoxyiminocyclohexyl]methyl acetate is CO/N=C1\CCCCC1COC(C)=O.
What is the InChIKey of [(2E)-2-methoxyiminocyclohexyl]methyl acetate?
The InChIKey is IEDZREQPNDLZBA-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(12)14-7-9-5-3-4-6-10(9)11-13-2/h9H,3-7H2,1-2H3/b11-10+.
What are the key properties of [(2E)-2-methoxyiminocyclohexyl]methyl acetate?
[(2E)-2-methoxyiminocyclohexyl]methyl acetate has a molecular weight of 199.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-methoxyiminocyclohexyl]methyl acetate is sourced from PubChem (CID 135056821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).