methyl 4-methoxyiminocyclohexane-1-carboxylate

C9H15NO3 — CID 130717722

IUPACmethyl 4-methoxyiminocyclohexane-1-carboxylate
SMILESCON=C1CCC(C(=O)OC)CC1
InChIInChI=1S/C9H15NO3/c1-12-9(11)7-3-5-8(6-4-7)10-13-2/h7H,3-6H2,1-2H3/b10-8-
InChIKeyBHKZQZFLADXZDB-NTMALXAHSA-N
MW185.22 g/mol
LogP1.35
Rot. Bonds2

About methyl 4-methoxyiminocyclohexane-1-carboxylate

methyl 4-methoxyiminocyclohexane-1-carboxylate (PubChem CID 130717722) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 4-methoxyiminocyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxyiminocyclohexane-1-carboxylate
PubChem CID130717722
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 4-methoxyiminocyclohexane-1-carboxylate
SMILESCON=C1CCC(C(=O)OC)CC1
InChIInChI=1S/C9H15NO3/c1-12-9(11)7-3-5-8(6-4-7)10-13-2/h7H,3-6H2,1-2H3/b10-8-
InChIKeyBHKZQZFLADXZDB-NTMALXAHSA-N
XLogP1.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.35
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 methyl 4-methoxyiminocyclohexane-1-carboxylate?
The IUPAC name of methyl 4-methoxyiminocyclohexane-1-carboxylate (CID 130717722) is methyl 4-methoxyiminocyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-methoxyiminocyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-methoxyiminocyclohexane-1-carboxylate is CON=C1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 4-methoxyiminocyclohexane-1-carboxylate?
The InChIKey is BHKZQZFLADXZDB-NTMALXAHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-9(11)7-3-5-8(6-4-7)10-13-2/h7H,3-6H2,1-2H3/b10-8-.
What are the key properties of methyl 4-methoxyiminocyclohexane-1-carboxylate?
methyl 4-methoxyiminocyclohexane-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxyiminocyclohexane-1-carboxylate is sourced from PubChem (CID 130717722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).